Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T54582 | Target Info | |||
| Target Name | Nicotinamide phosphoribosyltransferase (NAMPT) | ||||
| Synonyms | Visfatin; PreBcell colonyenhancing factor 1; PreB cellenhancing factor; Pre-B-cell colony-enhancing factor 1; Pre-B cell-enhancing factor; PBEF1; PBEF; Nampt; NAmPRTase | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | NAMPT | ||||
| Biochemical Class | Glycosyltransferases | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Nicotinamide | Ligand Info | |||||
| Structure Description | Crystal structure of Human NMPRTase complexed with nicotinamide | PDB:2E5D | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKYEET57 VFYGLQYILN67 KYLKGKVVTK 77 EKIQEAKDVY87 KEHFQDDVFN97 EKGWNYILEK107 YDGHLPIEIK117 AVPEGFVIPR 127 GNVLFTVENT137 DPECYWLTNW147 IETILVQSWY157 PITVATNSRE167 QKKILAKYLL 177 ETSGNLDGLE187 YKLHDFGYRG197 VSSQETAGIG207 ASAHLVNFKG217 TDTVAGLALI 227 KKYYGTKDPV237 PGYSVPAAEH247 STITAWGKDH257 EKDAFEHIVT267 QFSSVPVSVV 277 SDSYDIYNAC287 EKIWGEDLRH297 LIVSRSTQAP307 LIIRPDSGNP317 LDTVLKVLEI 327 LGKKFPVTEN337 SKGYKLLPPY347 LRVIQGDGVD357 INTLQEIVEG367 MKQKMWSIEN 377 IAFGSGGGLL387 QKLTRDLLNC397 SFKCSYVVTN407 GLGINVFKDP417 VADPNKRSKK 427 GRLSLHRTPA437 GNFVTLEEGK447 GDLEEYGQDL457 LHTVFKNGKV467 TKSYSFDEIR 477 KNAQLN
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| Ligand Name: Diazoxide | Ligand Info | |||||
| Structure Description | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | PDB:4LV9 | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [2] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKYEET57 VFYGLQYILN67 KYLKGKVVTK 77 EKIQEAKDVY87 KEHFQDDVFN97 EKGWNYILEK107 YDGHLPIEIK117 AVPEGFVIPR 127 GNVLFTVENT137 DPECYWLTNW147 IETILVQSWY157 PITVATNSRE167 QKKILAKYLL 177 ETSGNLDGLE187 YKLHDFGYRG197 VSSQETAGIG207 ASAHLVNFKG217 TDTVAGLALI 227 KKYYGTKDPV237 PGYSVPAAEH247 STITAWGKDH257 EKDAFEHIVT267 QFSSVPVSVV 277 SDSYDIYNAC287 EKIWGEDLRH297 LIVSRSTQAP307 LIIRPDSGNP317 LDTVLKVLEI 327 LGKKFPVTEN337 SKGYKLLPPY347 LRVIQGDGVD357 INTLQEIVEG367 MKQKMWSIEN 377 IAFGSGGGLL387 QKLTRDLLNC397 SFKCSYVVTN407 GLGINVFKDP417 VADPNKRSKK 427 GRLSLHRTPA437 GNFVTLEEGK447 GDLEEYGQDL457 LHTVFKNGKV467 TKSYSFDEIR 477 KNAQLNIEL
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| Ligand Name: Vitamin B3 | Ligand Info | |||||
| Structure Description | Human NAMPT in complex with nicotinic acid and phosphoribosyl pyrophosphate | PDB:6TA0 | ||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | No | [3] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKYEET57 VFYGLQYILN67 KYLKGKVVTK 77 EKIQEAKDVY87 KEHFQDDVFN97 EKGWNYILEK107 YDGHLPIEIK117 AVPEGFVIPR 127 GNVLFTVENT137 DPECYWLTNW147 IETILVQSWY157 PITVATNSRE167 QKKILAKYLL 177 ETSGNLDGLE187 YKLHDFGYRG197 VSSQETAGIG207 ASAHLVNFKG217 TDTVAGLALI 227 KKYYGTKDPV237 PGYSVPAAEH247 STITAWGKDH257 EKDAFEHIVT267 QFSSVPVSVV 277 SDSYDIYNAC287 EKIWGEDLRH297 LIVSRSTQAP307 LIIRPDSGNP317 LDTVLKVLEI 327 LGKKFPVTEN337 SKGYKLLPPY347 LRVIQGDGVD357 INTLQEIVEG367 MKQKMWSIEN 377 IAFGSGGGLL387 QKLTRDLLNC397 SFKCSYVVTN407 GLGINVFKDP417 VADPNKRSKK 427 GRLSLHRTPA437 GNFVTLEEGK447 GDLEEYGQDL457 LHTVFKNGKV467 TKSYSFDEIR 477 KNAQLNI
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NIO or .NIO2 or .NIO3 or :3NIO;style chemicals stick;color identity;select .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:196 or .A:219 or .A:241 or .A:244 or .A:245 or .A:275 or .A:311; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Daporinad | Ligand Info | |||||
| Structure Description | The crystal structure of a mutant NAMPT (G217R) in complex with an inhibitor APO866 | PDB:4O1B | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [4] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKKYEE56 TVFYGLQYIL66 NKYLKGKVVT 76 KEKIQEAKDV86 YKEHFQDDVF96 NEKGWNYILE106 KYDGHLPIEI116 KAVPEGFVIP 126 RGNVLFTVEN136 TDPECYWLTN146 WIETILVQSW156 YPITVATNSR166 EQKKILAKYL 176 LETSGNLDGL186 EYKLHDFGYR196 GVSSQETAGI206 GASAHLVNFK216 RTDTVAGLAL 226 IKKYYGTKDP236 VPGYSVPAAE246 HSTITAWGKD256 HEKDAFEHIV266 TQFSSVPVSV 276 VSDSYDIYNA286 CEKIWGEDLR296 HLIVSRSTQA306 PLIIRPDSGN316 PLDTVLKVLE 326 ILGKKFPVTE336 NSKGYKLLPP346 YLRVIQGDGV356 DINTLQEIVE366 GMKQKMWSIE 376 NIAFGSGGGL386 LQKLTRDLLN396 CSFKCSYVVT406 NGLGINVFKD416 PVADPNKRSK 426 KGRLSLHRTP436 AGNFVTLEEG446 KGDLEEYGQD456 LLHTVFKNGK466 VTKSYSFDEI 476 RKNAQLNIEL486 E
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DGB or .DGB2 or .DGB3 or :3DGB;style chemicals stick;color identity;select .A:184 or .A:185 or .A:188 or .A:189 or .A:191 or .A:193 or .A:196 or .A:217 or .A:219 or .A:242 or .A:243 or .A:244 or .A:275 or .A:307 or .A:309 or .A:311 or .A:349 or .A:350 or .A:351 or .A:376 or .A:377 or .A:378 or .A:379; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ASP184
4.597
GLY185
3.496
TYR188
3.946
LYS189
2.856
HIS191
3.736
PHE193
3.259
ARG196
3.313
ARG217
3.666
ASP219
3.264
VAL242
3.427
PRO243
4.549
ALA244
3.418
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: CHS-828 | Ligand Info | |||||
| Structure Description | Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation by Human Nicotinamide Phosphoribosyltransferase | PDB:4O12 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [5] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKKYEE56 TVFYGLQYIL66 NKYLKGKVVT 76 KEKIQEAKDV86 YKEHFQDDVF96 NEKGWNYILE106 KYDGHLPIEI116 KAVPEGFVIP 126 RGNVLFTVEN136 TDPECYWLTN146 WIETILVQSW156 YPITVATNSR166 EQKKILAKYL 176 LETSGNLDGL186 EYKLHDFGYR196 GVSSQETAGI206 GASAHLVNFK216 GTDTVAGLAL 226 IKKYYGTKDP236 VPGYSVPAAE246 HSTITAWGKD256 HEKDAFEHIV266 TQFSSVPVSV 276 VSDSYDIYNA286 CEKIWGEDLR296 HLIVSRSTQA306 PLIIRPDSGN316 PLDTVLKVLE 326 ILGKKFPVTE336 NSKGYKLLPP346 YLRVIQGDGV356 DINTLQEIVE366 GMKQKMWSIE 376 NIAFGSGGGL386 LQKLTRDLLN396 CSFKCSYVVT406 NGLGINVFKD416 PVADPNKRSK 426 KGRLSLHRTP436 AGNFVTLEEG446 KGDLEEYGQD456 LLHTVFKNGK466 VTKSYSFDEI 476 RKNAQLNIEL486 EA
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2QG or .2QG2 or .2QG3 or :32QG;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:217 or .A:219 or .A:240 or .A:241 or .A:242 or .A:244 or .A:275 or .A:309 or .A:311 or .A:351 or .A:379; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: KPT-9274 | Ligand Info | |||||
| Structure Description | Co-crystal structure of NAMPT dimer with KPT-9274 | PDB:5NSD | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [6] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKYEET57 VFYGLQYILN67 KYLKGKVVTK 77 EKIQEAKDVY87 KEHFQDDVFN97 EKGWNYILEK107 YDGHLPIEIK117 AVPEGFVIPR 127 GNVLFTVENT137 DPECYWLTNW147 IETILVQSWY157 PITVATNSRE167 QKKILAKYLL 177 ETSGNLDGLE187 YKLHDFGYRG197 VSSQETAGIG207 ASAHLVNFKG217 TDTVAGLALI 227 KKYYGTKDPV237 PGYSVPAAEH247 STITAWGKDH257 EKDAFEHIVT267 QFSSVPVSVV 277 SDSYDIYNAC287 EKIWGEDLRH297 LIVSRSTQAP307 LIIRPDSGNP317 LDTVLKVLEI 327 LGKKFPVTEN337 SKGYKLLPPY347 LRVIQGDGVD357 INTLQEIVEG367 MKQKMWSIEN 377 IAFGSGGGLL387 QKLTRDLLNC397 SFKCSYVVTN407 GLGINVFKDP417 VADPNKRSKK 427 GRLSLHRTPA437 GNFVTLEEGK447 GDLEEYGQDL457 LHTVFKNGKV467 TKSYSFDEIR 477 KNAQLN
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .96Q or .96Q2 or .96Q3 or :396Q;style chemicals stick;color identity;select .A:187 or .A:188 or .A:191 or .A:193 or .A:196 or .A:216 or .A:217 or .A:219 or .A:240 or .A:241 or .A:242 or .A:244 or .A:275 or .A:309 or .A:311 or .A:349 or .A:350 or .A:351 or .A:377 or .A:378 or .A:379; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLU187
3.887
TYR188
3.340
HIS191
3.402
PHE193
3.056
ARG196
2.979
LYS216
3.246
GLY217
3.518
ASP219
3.617
TYR240
3.209
SER241
3.942
VAL242
3.350
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| Ligand Name: Diphosphate | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782-RP. | PDB:5LX5 | ||||
| Method | X-ray diffraction | Resolution | 1.88 Å | Mutation | No | [7] |
| PDB Sequence |
FNILLATDSY
18 KVTHYKQYPP28 NTSKVYSYFE38 CREYEETVFY60 GLQYILNKYL70 KGKVVTKEKI 80 QEAKDVYKEH90 FQDDVFNEKG100 WNYILEKYDG110 HLPIEIKAVP120 EGFVIPRGNV 130 LFTVENTDPE140 CYWLTNWIET150 ILVQSWYPIT160 VATNSREQKK170 ILAKYLLETS 180 GNLDGLEYKL190 HDFGYRGVSS200 QETAGIGASA210 HLVNFKGTDT220 VAGLALIKKY 230 YGTKDPVPGY240 SVPAAEHSTI250 TAWGKDHEKD260 AFEHIVTQFS270 SVPVSVVSDS 280 YDIYNACEKI290 WGEDLRHLIV300 SRSTQAPLII310 RPDSGNPLDT320 VLKVLEILGK 330 KFPVTENSKG340 YKLLPPYLRV350 IQGDGVDINT360 LQEIVEGMKQ370 KMWSIENIAF 380 GSGGGLLQKL390 TRDLLNCSFK400 CSYVVTNGLG410 INVFKDPVAD420 PNKRSKKGRL 430 SLHRTPAGNF440 VTLEEGKGDL450 EEYGQDLLHT460 VFKNGKVTKS470 YSFDEIRKNA 480 QLN
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DPO or .DPO2 or .DPO3 or :3DPO;style chemicals stick;color identity;select .A:40 or .A:149 or .A:392 or .A:397 or .A:398 or .A:399 or .A:400 or .A:415 or .A:423; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Pyrophosphate 2- | Ligand Info | |||||
| Structure Description | Crystal structure of phosphorylated mimic form of human NAMPT complexed with nicotinamide mononucleotide and pyrophosphate | PDB:3DHF | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [8] |
| PDB Sequence |
FNILLATDSY
18 KVTHYKQYPP28 NTSKVYSYFE38 CREYEETVFY60 GLQYILNKYL70 KGKVVTKEKI 80 QEAKDVYKEH90 FQDDVFNEKG100 WNYILEKYDG110 HLPIEIKAVP120 EGFVIPRGNV 130 LFTVENTDPE140 CYWLTNWIET150 ILVQSWYPIT160 VATNSREQKK170 ILAKYLLETS 180 GNLDGLEYKL190 HDFGYRGVSS200 QETAGIGASA210 HLVNFKGTDT220 VAGLALIKKY 230 YGTKDPVPGY240 SVPAAEHSTI250 TAWGKDHEKD260 AFEHIVTQFS270 SVPVSVVSDS 280 YDIYNACEKI290 WGEDLRHLIV300 SRSTQAPLII310 RPDSGNPLDT320 VLKVLEILGK 330 KFPVTENSKG340 YKLLPPYLRV350 IQGDGVDINT360 LQEIVEGMKQ370 KMWSIENIAF 380 GSGGGLLQKL390 TRDLLNCSFK400 CSYVVTNGLG410 INVFKDPVAD420 PNKRSKKGRL 430 SLHRTPAGNF440 VTLEEGKGDL450 EEYGQDLLHT460 VFKNGKVTKS470 YSFDEIRKNA 480 QLNI
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .POP or .POP2 or .POP3 or :3POP;style chemicals stick;color identity;select .A:40 or .A:149 or .A:392 or .A:398 or .A:400 or .A:415 or .A:423; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: alphabeta-methyleneADP | Ligand Info | |||||
| Structure Description | Crystal structure of human NAMPT complexed with ADP analogue | PDB:3DGR | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [8] |
| PDB Sequence |
FNILLATDSY
18 KVTHYKQYPP28 NTSKVYSYFE38 CREYEETVFY60 GLQYILNKYL70 KGKVVTKEKI 80 QEAKDVYKEH90 FQDDVFNEKG100 WNYILEKYDG110 HLPIEIKAVP120 EGFVIPRGNV 130 LFTVENTDPE140 CYWLTNWIET150 ILVQSWYPIT160 VATNSREQKK170 ILAKYLLETS 180 GNLDGLEYKL190 HDFGYRGVSS200 QETAGIGASA210 HLVNFKGTDT220 VAGLALIKKY 230 YGTKDPVPGY240 SVPAAEHSTI250 TAWGKDHEKD260 AFEHIVTQFS270 SVPVSVVSDS 280 YDIYNACEKI290 WGEDLRHLIV300 SRSTQAPLII310 RPDSGNPLDT320 VLKVLEILGK 330 KFPVTENSKG340 YKLLPPYLRV350 IQGDGVDINT360 LQEIVEGMKQ370 KMWSIENIAF 380 GSGGGLLQKL390 TRDLLNCSFK400 CSYVVTNGLG410 INVFKDPVAD420 PNKRSKKGRL 430 SLHRTPAGNF440 VTLEEGKGDL450 EEYGQDLLHT460 VFKNGKVTKS470 YSFDEIRKNA 480 QLNI
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A12 or .A122 or .A123 or :3A12;style chemicals stick;color identity;select .A:193 or .A:194 or .A:196 or .A:244 or .A:245 or .A:275 or .A:311 or .A:313 or .A:351 or .A:353 or .A:354 or .A:381 or .A:382 or .A:383 or .A:384; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: STF-31 | Ligand Info | |||||
| Structure Description | Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | PDB:4N9D | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [9] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKYEET57 VFYGLQYILN67 KYLKGKVVTK 77 EKIQEAKDVY87 KEHFQDDVFN97 EKGWNYILEK107 YDGHLPIEIK117 AVPEGFVIPR 127 GNVLFTVENT137 DPECYWLTNW147 IETILVQSWY157 PITVATNSRE167 QKKILAKYLL 177 ETSGNLDGLE187 YKLHDFGYRG197 VSSQETAGIG207 ASAHLVNFKG217 TDTVAGLALI 227 KKYYGTKDPV237 PGYSVPAAEH247 STITAWGKDH257 EKDAFEHIVT267 QFSSVPVSVV 277 SDSYDIYNAC287 EKIWGEDLRH297 LIVSRSTQAP307 LIIRPDSGNP317 LDTVLKVLEI 327 LGKKFPVTEN337 SKGYKLLPPY347 LRVIQGDGVD357 INTLQEIVEG367 MKQKMWSIEN 377 IAFGSGGGLL387 QKLTRDLLNC397 SFKCSYVVTN407 GLGINVFKDP417 VADPNKRSKK 427 GRLSLHRTPA437 GNFVTLEEGK447 GDLEEYGQDL457 LHTVFKNGKV467 TKSYSFDEIR 477 KNAQLNIEL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2HJ or .2HJ2 or .2HJ3 or :32HJ;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:219 or .A:240 or .A:241 or .A:242 or .A:244 or .A:245 or .A:273 or .A:275 or .A:309 or .A:311 or .A:351 or .A:379; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Alpha-Phosphoribosylpyrophosphoric Acid | Ligand Info | |||||
| Structure Description | Human NAMPT in complex with nicotinic acid and phosphoribosyl pyrophosphate | PDB:6TA0 | ||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | No | [3] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKYEET57 VFYGLQYILN67 KYLKGKVVTK 77 EKIQEAKDVY87 KEHFQDDVFN97 EKGWNYILEK107 YDGHLPIEIK117 AVPEGFVIPR 127 GNVLFTVENT137 DPECYWLTNW147 IETILVQSWY157 PITVATNSRE167 QKKILAKYLL 177 ETSGNLDGLE187 YKLHDFGYRG197 VSSQETAGIG207 ASAHLVNFKG217 TDTVAGLALI 227 KKYYGTKDPV237 PGYSVPAAEH247 STITAWGKDH257 EKDAFEHIVT267 QFSSVPVSVV 277 SDSYDIYNAC287 EKIWGEDLRH297 LIVSRSTQAP307 LIIRPDSGNP317 LDTVLKVLEI 327 LGKKFPVTEN337 SKGYKLLPPY347 LRVIQGDGVD357 INTLQEIVEG367 MKQKMWSIEN 377 IAFGSGGGLL387 QKLTRDLLNC397 SFKCSYVVTN407 GLGINVFKDP417 VADPNKRSKK 427 GRLSLHRTPA437 GNFVTLEEGK447 GDLEEYGQDL457 LHTVFKNGKV467 TKSYSFDEIR 477 KNAQLNI
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PRP or .PRP2 or .PRP3 or :3PRP;style chemicals stick;color identity;select .A:18 or .A:40 or .A:149 or .A:193 or .A:194 or .A:196 or .A:197 or .A:247 or .A:277 or .A:311 or .A:313 or .A:353 or .A:354 or .A:355 or .A:356 or .A:382 or .A:383 or .A:384 or .A:385 or .A:392 or .A:396 or .A:397 or .A:398 or .A:399 or .A:400 or .A:415 or .A:423; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR18
4.000
ARG40
2.502
GLU149
4.407
PHE193
2.847
GLY194
4.856
ARG196
2.089
GLY197
4.221
HIS247
3.901
VAL277
4.960
ARG311
2.192
ASP313
1.907
GLY353
2.540
ASP354
2.665
GLY355
4.023
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Namn | Ligand Info | |||||
| Structure Description | Human NAMPT in complex with nicotinic acid mononucleotide and phosphate | PDB:6TA2 | ||||
| Method | X-ray diffraction | Resolution | 1.68 Å | Mutation | No | [10] |
| PDB Sequence |
FNILLATDSY
18 KVTHYKQYPP28 NTSKVYSYFE38 CREKKVKYEE56 TVFYGLQYIL66 NKYLKGKVVT 76 KEKIQEAKDV86 YKEHFQDDVF96 NEKGWNYILE106 KYDGHLPIEI116 KAVPEGFVIP 126 RGNVLFTVEN136 TDPECYWLTN146 WIETILVQSW156 YPITVATNSR166 EQKKILAKYL 176 LETSGNLDGL186 EYKLHDFGYR196 GVSSQETAGI206 GASAHLVNFK216 GTDTVAGLAL 226 IKKYYGTKDP236 VPGYSVPAAE246 HSTITAWGKD256 HEKDAFEHIV266 TQFSSVPVSV 276 VSDSYDIYNA286 CEKIWGEDLR296 HLIVSRSTQA306 PLIIRPDSGN316 PLDTVLKVLE 326 ILGKKFPVTE336 NSKGYKLLPP346 YLRVIQGDGV356 DINTLQEIVE366 GMKQKMWSIE 376 NIAFGSGGGL386 LQKLTRDLLN396 CSFKCSYVVT406 NGLGINVFKD416 PVADPNKRSK 426 KGRLSLHRTP436 AGNFVTLEEG446 KGDLEEYGQD456 LLHTVFKNGK466 VTKSYSFDEI 476 RKNAQLNI
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NCN or .NCN2 or .NCN3 or :3NCN;style chemicals stick;color identity;select .B:191 or .B:193 or .B:194 or .B:195 or .B:196 or .B:197 or .B:219 or .B:244 or .B:245 or .B:247 or .B:275 or .B:311 or .B:313 or .B:353 or .B:354 or .B:355 or .B:381 or .B:382 or .B:383 or .B:384 or .B:385; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS191
4.907
PHE193
2.062
GLY194
4.427
TYR195
4.395
ARG196
2.482
GLY197
3.561
ASP219
2.515
ALA244
3.296
ALA245
4.525
HIS247
4.881
SER275
3.979
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| Ligand Name: tert-butyl (1S)-1-[[([1H,2H,3H-pyrrolo[3,4-c]pyridin-2-yl]carbonyl) amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate | Ligand Info | |||||
| Structure Description | Crystal Structure of Nicotinamide Phosphoribosyltransferase (Nampt) in Complex with Inhibitors 37 | PDB:5KIT | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [11] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKYEET57 VFYGLQYILN67 KYLKGKVVTK 77 EKIQEAKDVY87 KEHFQDDVFN97 EKGWNYILEK107 YDGHLPIEIK117 AVPEGFVIPR 127 GNVLFTVENT137 DPECYWLTNW147 IETILVQSWY157 PITVATNSRE167 QKKILAKYLL 177 ETSGNLDGLE187 YKLHDFGYRG197 VSSQETAGIG207 ASAHLVNFKG217 TDTVAGLALI 227 KKYYGTKDPV237 PGYSVPAAEH247 STITAWGKDH257 EKDAFEHIVT267 QFSSVPVSVV 277 SDSYDIYNAC287 EKIWGEDLRH297 LIVSRSTQAP307 LIIRPDSGNP317 LDTVLKVLEI 327 LGKKFPVTEN337 SKGYKLLPPY347 LRVIQGDGVD357 INTLQEIVEG367 MKQKMWSIEN 377 IAFGSGGGLL387 QKLTRDLLNC397 SFKCSYVVTN407 GLGINVFKDP417 VADPNKRSKK 427 GRLSLHRTPA437 GNFVTLEEGK447 GDLEEYGQDL457 LHTVFKNGKV467 TKSYSFDEIR 477 KNAQLNIELE487
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6TA or .6TA2 or .6TA3 or :36TA;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:219 or .A:241 or .A:242 or .A:243 or .A:244 or .A:245 or .A:273 or .A:275 or .A:307 or .A:309 or .A:311 or .A:351 or .A:379; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (3E)-3-[(phenylamino)methylidene]oxan-2-one | Ligand Info | |||||
| Structure Description | Crystal structure of human NAMPT with fragment 5: (3E)-3-[(phenylamino)methylidene]oxan-2-one | PDB:5WI1 | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [12] |
| PDB Sequence |
FNILLATDSY
18 KVTHYKQYPP28 NTSKVYSYFE38 CREYEETVFY60 GLQYILNKYL70 KGKVVTKEKI 80 QEAKDVYKEH90 FQDDVFNEKG100 WNYILEKYDG110 HLPIEIKAVP120 EGFVIPRGNV 130 LFTVENTDPE140 CYWLTNWIET150 ILVQSWYPIT160 VATNSREQKK170 ILAKYLLETS 180 GNLDGLEYKL190 HDFGYRGVSS200 QETAGIGASA210 HLVNFKGTDT220 VAGLALIKKY 230 YGTKDPVPGY240 SVPAAEHSTI250 TAWGKDHEKD260 AFEHIVTQFS270 SVPVSVVSDS 280 YDIYNACEKI290 WGEDLRHLIV300 SRSTQAPLII310 RPDSGNPLDT320 VLKVLEILGK 330 KFPVTENSKG340 YKLLPPYLRV350 IQGDGVDINT360 LQEIVEGMKQ370 KMWSIENIAF 380 GSGGGLLQKL390 TRDLLNCSFK400 CSYVVTNGLG410 INVFKDPVAD420 PNKRSKKGRL 430 SLHRTPAGNF440 VTLEEGKGDL450 EEYGQDLLHT460 VFKNGKVTKS470 YSFDEIRKNA 480 QLNI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AOY or .AOY2 or .AOY3 or :3AOY;style chemicals stick;color identity;select .A:191 or .A:193 or .A:196 or .A:219 or .A:241 or .A:242 or .A:243 or .A:244 or .A:275 or .A:311 or .A:351; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one | Ligand Info | |||||
| Structure Description | Crystal structure of human NAMPT with fragment 2: 2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one | PDB:5WI0 | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [12] |
| PDB Sequence |
FNILLATDSY
18 KVTHYKQYPP28 NTSKVYSYFE38 CREYEETVFY60 GLQYILNKYL70 KGKVVTKEKI 80 QEAKDVYKEH90 FQDDVFNEKG100 WNYILEKYDG110 HLPIEIKAVP120 EGFVIPRGNV 130 LFTVENTDPE140 CYWLTNWIET150 ILVQSWYPIT160 VATNSREQKK170 ILAKYLLETS 180 GNLDGLEYKL190 HDFGYRGVSS200 QETAGIGASA210 HLVNFKGTDT220 VAGLALIKKY 230 YGTKDPVPGY240 SVPAAEHSTI250 TAWGKDHEKD260 AFEHIVTQFS270 SVPVSVVSDS 280 YDIYNACEKI290 WGEDLRHLIV300 SRSTQAPLII310 RPDSGNPLDT320 VLKVLEILGK 330 KFPVTENSKG340 YKLLPPYLRV350 IQGDGVDINT360 LQEIVEGMKQ370 KMWSIENIAF 380 GSGGGLLQKL390 TRDLLNCSFK400 CSYVVTNGLG410 INVFKDPVAD420 PNKRSKKGRL 430 SLHRTPAGNF440 VTLEEGKGDL450 EEYGQDLLHT460 VFKNGKVTKS470 YSFDEIRKNA 480 QLNI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AQ1 or .AQ12 or .AQ13 or :3AQ1;style chemicals stick;color identity;select .A:191 or .A:192 or .A:193 or .A:196 or .A:219 or .A:241 or .A:242 or .A:243 or .A:244 or .A:245 or .A:275 or .A:311 or .A:351; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Selenomethionine | Ligand Info | |||||
| Structure Description | Crystal Structure of Human NMPRTase in complex with FK866 | PDB:2GVJ | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [13] |
| PDB Sequence |
FNILLATDSY
18 KVTHYKQYPP28 NTSKVYSYFE38 CREYEETVFY60 GLQYILNKYL70 KGKVVTKEKI 80 QEAKDVYKEH90 FQDDVFNEKG100 WNYILEKYDG110 HLPIEIKAVP120 EGFVIPRGNV 130 LFTVENTDPE140 CYWLTNWIET150 ILVQSWYPIT160 VATNSREQKK170 ILAKYLLETS 180 GNLDGLEYKL190 HDFGYRGVSS200 QETAGIGASA210 HLVNFKGTDT220 VAGLALIKKY 230 YGTKDPVPGY240 SVPAAEHSTI250 TAWGKDHEKD260 AFEHIVTQFS270 SVPVSVVSDS 280 YDIYNACEKI290 WGEDLRHLIV300 SRSTQAPLII310 RPDSGNPLDT320 VLKVLEILGK 330 KFPVTENSKG340 YKLLPPYLRV350 IQGDGVDINT360 LQEIVEGKQK371 WSIENIAFGS 382 GGGLLQKLTR392 DLLNCSFKCS402 YVVTNGLGIN412 VFKDPVADPN422 KRSKKGRLSL 432 HRTPAGNFVT442 LEEGKGDLEE452 YGQDLLHTVF462 KNGKVTKSYS472 FDEIRKNAQL 482 NIE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MSE or .MSE2 or .MSE3 or :3MSE;style chemicals stick;color identity;select .A:318 or .A:321 or .A:322 or .A:325 or .A:339 or .A:340 or .A:341 or .A:342 or .A:364 or .A:365 or .A:366 or .A:367 or .A:369 or .A:370 or .A:371 or .A:373 or .A:374 or .A:375 or .A:377 or .A:378 or .A:380; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU318
4.679
VAL321
4.046
LEU322
3.981
LEU325
3.834
LYS339
4.880
GLY340
3.432
TYR341
3.546
LYS342
2.778
ILE364
2.896
VAL365
3.303
GLU366
3.322
|
|||||
| Ligand Name: N-[4-[(5R)-6-oxo-5-quinolin-5-yl-5-(trifluoromethyl)-1,4-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH Compound 10 | PDB:7PPH | ||||
| Method | X-ray diffraction | Resolution | 1.74 Å | Mutation | No | [14] |
| PDB Sequence |
FNILLATDSY
18 KVTHYKQYPP28 NTSKVYSYFE38 CREKKKYEET57 VFYGLQYILN67 KYLKGKVVTK 77 EKIQEAKDVY87 KEHFQDDVFN97 EKGWNYILEK107 YDGHLPIEIK117 AVPEGFVIPR 127 GNVLFTVENT137 DPECYWLTNW147 IETILVQSWY157 PITVATNSRE167 QKKILAKYLL 177 ETSGNLDGLE187 YKLHDFGYRG197 VSSQETAGIG207 ASAHLVNFKG217 TDTVAGLALI 227 KKYYGTKDPV237 PGYSVPAAEH247 STITAWGKDH257 EKDAFEHIVT267 QFSSVPVSVV 277 SDSYDIYNAC287 EKIWGEDLRH297 LIVSRSTQAP307 LIIRPDSGNP317 LDTVLKVLEI 327 LGKKFPVTEN337 SKGYKLLPPY347 LRVIQGDGVD357 INTLQEIVEG367 MKQKMWSIEN 377 IAFGSGGGLL387 QKLTRDLLNC397 SFKCSYVVTN407 GLGINVFKDP417 VADPNKRSKK 427 GRLSLHRTPA437 GNFVTLEEGK447 GDLEEYGQDL457 LHTVFKNGKV467 TKSYSFDEIR 477 KNAQLNI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7YE or .7YE2 or .7YE3 or :37YE;style chemicals stick;color identity;select .A:188 or .A:189 or .A:191 or .A:193 or .A:196 or .A:219 or .A:240 or .A:241 or .A:242 or .A:244 or .A:245 or .A:273 or .A:275 or .A:305 or .A:307 or .A:309 or .A:311 or .A:349 or .A:351 or .A:379; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR188
2.696
LYS189
4.834
HIS191
3.284
PHE193
3.282
ARG196
3.424
ASP219
3.205
TYR240
4.797
SER241
4.376
VAL242
3.531
ALA244
3.641
|
|||||
| Ligand Name: N-[4-[(4R)-4-methyl-1-(oxan-4-yl)-6-oxo-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 1 | PDB:7PPE | ||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | No | [14] |
| PDB Sequence |
FNILLATDSY
18 KVTHYKQYPP28 NTSKVYSYFE38 CREKVKYEET57 VFYGLQYILN67 KYLKGKVVTK 77 EKIQEAKDVY87 KEHFQDDVFN97 EKGWNYILEK107 YDGHLPIEIK117 AVPEGFVIPR 127 GNVLFTVENT137 DPECYWLTNW147 IETILVQSWY157 PITVATNSRE167 QKKILAKYLL 177 ETSGNLDGLE187 YKLHDFGYRG197 VSSQETAGIG207 ASAHLVNFKG217 TDTVAGLALI 227 KKYYGTKDPV237 PGYSVPAAEH247 STITAWGKDH257 EKDAFEHIVT267 QFSSVPVSVV 277 SDSYDIYNAC287 EKIWGEDLRH297 LIVSRSTQAP307 LIIRPDSGNP317 LDTVLKVLEI 327 LGKKFPVTEN337 SKGYKLLPPY347 LRVIQGDGVD357 INTLQEIVEG367 MKQKMWSIEN 377 IAFGSGGGLL387 QKLTRDLLNC397 SFKCSYVVTN407 GLGINVFKDP417 VADPNKRSKK 427 GRLSLHRTPA437 GNFVTLEEGK447 GDLEEYGQDL457 LHTVFKNGKV467 TKSYSFDEIR 477 KNAQLNI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7YK or .7YK2 or .7YK3 or :37YK;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:219 or .A:240 or .A:241 or .A:242 or .A:244 or .A:245 or .A:273 or .A:275 or .A:309 or .A:311 or .A:351 or .A:379; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[4-[(4R)-1-cyclopentyl-4-methyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 9 | PDB:7PPG | ||||
| Method | X-ray diffraction | Resolution | 2.13 Å | Mutation | No | [14] |
| PDB Sequence |
FNILLATDSY
18 KVTHYKQYPP28 NTSKVYSYFE38 CREKVKYEET57 VFYGLQYILN67 KYLKGKVVTK 77 EKIQEAKDVY87 KEHFQDDVFN97 EKGWNYILEK107 YDGHLPIEIK117 AVPEGFVIPR 127 GNVLFTVENT137 DPECYWLTNW147 IETILVQSWY157 PITVATNSRE167 QKKILAKYLL 177 ETSGNLDGLE187 YKLHDFGYRG197 VSSQETAGIG207 ASAHLVNFKG217 TDTVAGLALI 227 KKYYGTKDPV237 PGYSVPAAEH247 STITAWGKDH257 EKDAFEHIVT267 QFSSVPVSVV 277 SDSYDIYNAC287 EKIWGEDLRH297 LIVSRSTQAP307 LIIRPDSGNP317 LDTVLKVLEI 327 LGKKFPVTEN337 SKGYKLLPPY347 LRVIQGDGVD357 INTLQEIVEG367 MKQKMWSIEN 377 IAFGSGGGLL387 QKLTRDLLNC397 SFKCSYVVTN407 GLGINVFKDP417 VADPNKRSKK 427 GRLSLHRTPA437 GNFVTLEEGK447 GDLEEYGQDL457 LHTVFKNGKV467 TKSYSFDEIR 477 KNAQLNI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7YX or .7YX2 or .7YX3 or :37YX;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:217 or .A:219 or .A:240 or .A:241 or .A:242 or .A:244 or .A:245 or .A:273 or .A:275 or .A:309 or .A:311 or .A:351 or .A:379; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[4-[(5R)-1-(4-aminobutyl)-6-oxo-5-quinolin-5-yl-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal STRUCTURE OF NAMPT IN COMPLEX WITH Compound 11 | PDB:7PPI | ||||
| Method | X-ray diffraction | Resolution | 2.33 Å | Mutation | No | [14] |
| PDB Sequence |
FNILLATDSY
18 KVTHYKQYPP28 NTSKVYSYFE38 CREYEETVFY60 GLQYILNKYL70 KGKVVTKEKI 80 QEAKDVYKEH90 FQDDVFNEKG100 WNYILEKYDG110 HLPIEIKAVP120 EGFVIPRGNV 130 LFTVENTDPE140 CYWLTNWIET150 ILVQSWYPIT160 VATNSREQKK170 ILAKYLLETS 180 GNLDGLEYKL190 HDFGYRGVSS200 QETAGIGASA210 HLVNFKGTDT220 VAGLALIKKY 230 YGTKDPVPGY240 SVPAAEHSTI250 TAWGKDHEKD260 AFEHIVTQFS270 SVPVSVVSDS 280 YDIYNACEKI290 WGEDLRHLIV300 SRSTQAPLII310 RPDSGNPLDT320 VLKVLEILGK 330 KFPVTENSKG340 YKLLPPYLRV350 IQGDGVDINT360 LQEIVEGMKQ370 KMWSIENIAF 380 GSGGGLLQKL390 TRDLLNCSFK400 CSYVVTNGLG410 INVFKDPVAD420 PNKRSKKGRL 430 SLHRTPAGNF440 VTLEEGKGDL450 EEYGQDLLHT460 VFKNGKVTKS470 YSFDEIRKNA 480 QLN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7Z2 or .7Z22 or .7Z23 or :37Z2;style chemicals stick;color identity;select .A:184 or .A:185 or .A:186 or .A:188 or .A:189 or .A:191 or .A:192 or .A:193 or .A:196 or .A:219 or .A:240 or .A:241 or .A:242 or .A:244 or .A:245 or .A:273 or .A:275 or .A:309 or .A:311 or .A:349 or .A:350 or .A:351 or .A:375 or .A:376 or .A:377 or .A:378 or .A:379; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASP184
4.234
GLY185
3.050
LEU186
4.657
TYR188
3.323
LYS189
2.892
HIS191
3.534
ASP192
4.996
PHE193
3.247
ARG196
3.669
ASP219
2.890
TYR240
4.660
SER241
4.118
VAL242
3.447
ALA244
3.690
|
|||||
| Ligand Name: N-[4-[(4R)-1,4-dimethyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 8 | PDB:7PPF | ||||
| Method | X-ray diffraction | Resolution | 2.36 Å | Mutation | No | [14] |
| PDB Sequence |
FNILLATDSY
18 KVTHYKQYPP28 NTSKVYSYFE38 CREKKKYEET57 VFYGLQYILN67 KYLKGKVVTK 77 EKIQEAKDVY87 KEHFQDDVFN97 EKGWNYILEK107 YDGHLPIEIK117 AVPEGFVIPR 127 GNVLFTVENT137 DPECYWLTNW147 IETILVQSWY157 PITVATNSRE167 QKKILAKYLL 177 ETSGNLDGLE187 YKLHDFGYRG197 VSSQETAGIG207 ASAHLVNFKG217 TDTVAGLALI 227 KKYYGTKDPV237 PGYSVPAAEH247 STITAWGKDH257 EKDAFEHIVT267 QFSSVPVSVV 277 SDSYDIYNAC287 EKIWGEDLRH297 LIVSRSTQAP307 LIIRPDSGNP317 LDTVLKVLEI 327 LGKKFPVTEN337 SKGYKLLPPY347 LRVIQGDGVD357 INTLQEIVEG367 MKQKMWSIEN 377 IAFGSGGGLL387 QKLTRDLLNC397 SFKCSYVVTN407 GLGINVFKDP417 VADPNKRSKK 427 GRLSLHRTPA437 GNFVTLEEGK447 GDLEEYGQDL457 LHTVFKNGKV467 TKSYSFDEIR 477 KNAQLNI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7YT or .7YT2 or .7YT3 or :37YT;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:219 or .A:241 or .A:242 or .A:244 or .A:245 or .A:273 or .A:275 or .A:309 or .A:311 or .A:349 or .A:350 or .A:351 or .A:378 or .A:379; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: beta-Nicotinamide ribose monophosphate | Ligand Info | |||||
| Structure Description | Human NAMPT deletion mutant in complex with nicotinamide mononucleotide, pyrophosphate, and Mg2+ | PDB:6TAC | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [15] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREVKYEET47 VFYGLQYILN57 KYLKGKVVTK 67 EKIQEAKDVY77 KEHFQDDVFN87 EKGWNYILEK97 YDGHLPIEIK107 AVPEGFVIPR 117 GNVLFTVENT127 DPECYWLTNW137 IETILVQSWY147 PITVATNSRE157 QKKILAKYLL 167 ETSGNLDGLE177 YKLHDFGYRG187 VSSQETAGIG197 ASAHLVNFKG207 TDTVAGLALI 217 KKYYGTKDPV227 PGYSVPAAEH237 STITAWGKDH247 EKDAFEHIVT257 QFSSVPVSVV 267 SDSYDIYNAC277 EKIWGEDLRH287 LIVSRSTQAP297 LIIRPDSGNP307 LDTVLKVLEI 317 LGKKFPVTEN327 SKGYKLLPPY337 LRVIQGDGVD347 INTLQEIVEG357 MKQKMWSIEN 367 IAFGSGGGLL377 QKLTRDLLNC387 SFKCSYVVTN397 GLGINVFKDP407 VADPNKRSKK 417 GRLSLHRTPA427 GNFVTLEEGK437 GDLEEYGQDL447 LHTVFKNGKV457 TKSYSFDEIR 467 KNAQLNI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NMN or .NMN2 or .NMN3 or :3NMN;style chemicals stick;color identity;select .A:181 or .A:183 or .A:184 or .A:185 or .A:186 or .A:187 or .A:209 or .A:231 or .A:232 or .A:234 or .A:235 or .A:237 or .A:265 or .A:267 or .A:301 or .A:303 or .A:343 or .A:344 or .A:345 or .A:346 or .A:372 or .A:373 or .A:374 or .A:375; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS181
4.537
PHE183
2.843
GLY184
4.389
TYR185
4.463
ARG186
3.061
GLY187
3.925
ASP209
2.199
SER231
4.698
VAL232
4.920
ALA234
2.697
ALA235
4.390
HIS237
3.797
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: [(2~{r},3~{s},4~{r},5~{r})-5-[2-Azanyl-5-[[[4-[6-(Ethylamino)-5-(2-Piperidin-1-Ylethylcarbamoyl)pyridin-2-Yl]-2-Fluoranyl-Phenyl]carbamoylamino]methyl]pyridin-1-Ium-1-Yl]-3,4-Bis(Oxidanyl)oxolan-2-Yl]methyl Dihydrogen Phosphate | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782-RP. | PDB:5LX5 | ||||
| Method | X-ray diffraction | Resolution | 1.88 Å | Mutation | No | [7] |
| PDB Sequence |
FNILLATDSY
18 KVTHYKQYPP28 NTSKVYSYFE38 CREYEETVFY60 GLQYILNKYL70 KGKVVTKEKI 80 QEAKDVYKEH90 FQDDVFNEKG100 WNYILEKYDG110 HLPIEIKAVP120 EGFVIPRGNV 130 LFTVENTDPE140 CYWLTNWIET150 ILVQSWYPIT160 VATNSREQKK170 ILAKYLLETS 180 GNLDGLEYKL190 HDFGYRGVSS200 QETAGIGASA210 HLVNFKGTDT220 VAGLALIKKY 230 YGTKDPVPGY240 SVPAAEHSTI250 TAWGKDHEKD260 AFEHIVTQFS270 SVPVSVVSDS 280 YDIYNACEKI290 WGEDLRHLIV300 SRSTQAPLII310 RPDSGNPLDT320 VLKVLEILGK 330 KFPVTENSKG340 YKLLPPYLRV350 IQGDGVDINT360 LQEIVEGMKQ370 KMWSIENIAF 380 GSGGGLLQKL390 TRDLLNCSFK400 CSYVVTNGLG410 INVFKDPVAD420 PNKRSKKGRL 430 SLHRTPAGNF440 VTLEEGKGDL450 EEYGQDLLHT460 VFKNGKVTKS470 YSFDEIRKNA 480 QLN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7A0 or .7A02 or .7A03 or :37A0;style chemicals stick;color identity;select .A:185 or .A:188 or .A:189 or .A:191 or .A:193 or .A:194 or .A:196 or .A:197 or .A:219 or .A:240 or .A:241 or .A:242 or .A:244 or .A:245 or .A:275 or .A:304 or .A:305 or .A:307 or .A:309 or .A:311 or .A:313 or .A:349 or .A:350 or .A:351 or .A:353 or .A:376 or .A:377 or .A:378 or .A:379 or .A:382 or .A:383 or .A:384 or .A:385; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY185
4.557
TYR188
3.695
LYS189
4.606
HIS191
2.960
PHE193
3.453
GLY194
4.907
ARG196
3.184
GLY197
4.668
ASP219
3.300
TYR240
4.945
SER241
3.181
VAL242
3.526
ALA244
3.249
ALA245
4.477
SER275
2.744
THR304
3.649
GLN305
4.031
|
|||||
| Ligand Name: 6-[4-[(6-Azanylpyridin-3-Yl)methylcarbamoylamino]-3-Fluoranyl-Phenyl]-2-(Ethylamino)-~{n}-(2-Piperidin-1-Ylethyl)pyridine-3-Carboxamide | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782. | PDB:5LX3 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [16] |
| PDB Sequence |
FNILLATDSY
18 KVTHYKQYPP28 NTSKVYSYFE38 CREYEETVFY60 GLQYILNKYL70 KGKVVTKEKI 80 QEAKDVYKEH90 FQDDVFNEKG100 WNYILEKYDG110 HLPIEIKAVP120 EGFVIPRGNV 130 LFTVENTDPE140 CYWLTNWIET150 ILVQSWYPIT160 VATNSREQKK170 ILAKYLLETS 180 GNLDGLEYKL190 HDFGYRGVSS200 QETAGIGASA210 HLVNFKGTDT220 VAGLALIKKY 230 YGTKDPVPGY240 SVPAAEHSTI250 TAWGKDHEKD260 AFEHIVTQFS270 SVPVSVVSDS 280 YDIYNACEKI290 WGEDLRHLIV300 SRSTQAPLII310 RPDSGNPLDT320 VLKVLEILGK 330 KFPVTENSKG340 YKLLPPYLRV350 IQGDGVDINT360 LQEIVEGMKQ370 KMWSIENIAF 380 GSGGGLLQKL390 TRDLLNCSFK400 CSYVVTNGLG410 INVFKDPVAD420 PNKRSKKGRL 430 SLHRTPAGNF440 VTLEEGKGDL450 EEYGQDLLHT460 VFKNGKVTKS470 YSFDEIRKNA 480 QLN
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7A1 or .7A12 or .7A13 or :37A1;style chemicals stick;color identity;select .A:185 or .A:188 or .A:189 or .A:191 or .A:193 or .A:196 or .A:219 or .A:240 or .A:241 or .A:242 or .A:244 or .A:245 or .A:275 or .A:304 or .A:305 or .A:309 or .A:311 or .A:349 or .A:350 or .A:351 or .A:376 or .A:377 or .A:378 or .A:379; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY185
4.644
TYR188
3.802
LYS189
4.229
HIS191
2.934
PHE193
3.401
ARG196
3.303
ASP219
3.258
TYR240
4.713
SER241
3.452
VAL242
3.297
ALA244
3.399
ALA245
4.697
|
|||||
| Ligand Name: (1S,2S)-N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human NAMPT in complex with NVP-LQN520 | PDB:6AZJ | ||||
| Method | X-ray diffraction | Resolution | 2.53 Å | Mutation | No | [17] |
| PDB Sequence |
FNILLATDSY
18 KVTHYKQYPP28 NTSKVYSYFE38 CREKKYEETV58 FYGLQYILNK68 YLKGKVVTKE 78 KIQEAKDVYK88 EHFQDDVFNE98 KGWNYILEKY108 DGHLPIEIKA118 VPEGFVIPRG 128 NVLFTVENTD138 PECYWLTNWI148 ETILVQSWYP158 ITVATNSREQ168 KKILAKYLLE 178 TSGNLDGLEY188 KLHDFGYRGV198 SSQETAGIGA208 SAHLVNFKGT218 DTVAGLALIK 228 KYYGTKDPVP238 GYSVPAAEHS248 TITAWGKDHE258 KDAFEHIVTQ268 FSSVPVSVVS 278 DSYDIYNACE288 KIWGEDLRHL298 IVSRSTQAPL308 IIRPDSGNPL318 DTVLKVLEIL 328 GKKFPVTENS338 KGYKLLPPYL348 RVIQGDGVDI358 NTLQEIVEGM368 KQKMWSIENI 378 AFGSGGGLLQ388 KLTRDLLNCS398 FKCSYVVTNG408 LGINVFKDPV418 ADPNKRSKKG 428 RLSLHRTPAG438 NFVTLEEGKG448 DLEEYGQDLL458 HTVFKNGKVT468 KSYSFDEIRK 478 NAQLNIE
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C5V or .C5V2 or .C5V3 or :3C5V;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:219 or .A:241 or .A:242 or .A:244 or .A:273 or .A:275 or .A:304 or .A:305 or .A:307 or .A:309 or .A:311 or .A:349 or .A:350 or .A:351 or .A:379; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of human NAMPT in complex with compound NAT | PDB:7ENQ | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [18] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKYEETV58 FYGLQYILNK68 YLKGKVVTKE 78 KIQEAKDVYK88 EHFQDDVFNE98 KGWNYILEKY108 DGHLPIEIKA118 VPEGFVIPRG 128 NVLFTVENTD138 PECYWLTNWI148 ETILVQSWYP158 ITVATNSREQ168 KKILAKYLLE 178 TSGNLDGLEY188 KLHDFGYRGV198 SSQETAGIGA208 SAHLVNFKGT218 DTVAGLALIK 228 KYYGTKDPVP238 GYSVPAAEHS248 TITAWGKDHE258 KDAFEHIVTQ268 FSSVPVSVVS 278 DSYDIYNACE288 KIWGEDLRHL298 IVSRSTQAPL308 IIRPDSGNPL318 DTVLKVLEIL 328 GKKFPVTENS338 KGYKLLPPYL348 RVIQGDGVDI358 NTLQEIVEGM368 KQKMWSIENI 378 AFGSGGGLLQ388 KLTRDLLNCS398 FKCSYVVTNG408 LGINVFKDPV418 ADPNKRSKKG 428 RLSLHRTPAG438 NFVTLEEGKG448 DLEGQDLLHT460 VFKNGKVTKS470 YSFDEIRKNA 480 QLN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J7F or .J7F2 or .J7F3 or :3J7F;style chemicals stick;color identity;select .A:184 or .A:185 or .A:188 or .A:189 or .A:191 or .A:193 or .A:219 or .A:241 or .A:242 or .A:244 or .A:273 or .A:275 or .A:307 or .A:309 or .A:350 or .A:351 or .A:379; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of phosphorylated mimic form of human NAMPT complexed with benzamide and phosphoribosyl pyrophosphate | PDB:3DKL | ||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | No | [8] |
| PDB Sequence |
FNILLATDSY
18 KVTHYKQYPP28 NTSKVYSYFE38 CREYEETVFY60 GLQYILNKYL70 KGKVVTKEKI 80 QEAKDVYKEH90 FQDDVFNEKG100 WNYILEKYDG110 HLPIEIKAVP120 EGFVIPRGNV 130 LFTVENTDPE140 CYWLTNWIET150 ILVQSWYPIT160 VATNSREQKK170 ILAKYLLETS 180 GNLDGLEYKL190 HDFGYRGVSS200 QETAGIGASA210 HLVNFKGTDT220 VAGLALIKKY 230 YGTKDPVPGY240 SVPAAEHSTI250 TAWGKDHEKD260 AFEHIVTQFS270 SVPVSVVSDS 280 YDIYNACEKI290 WGEDLRHLIV300 SRSTQAPLII310 RPDSGNPLDT320 VLKVLEILGK 330 KFPVTENSKG340 YKLLPPYLRV350 IQGDGVDINT360 LQEIVEGMKQ370 KMWSIENIAF 380 GSGGGLLQKL390 TRDLLNCSFK400 CSYVVTNGLG410 INVFKDPVAD420 PNKRSKKGRL 430 SLHRTPAGNF440 VTLEEGKGDL450 EEYGQDLLHT460 VFKNGKVTKS470 YSFDEIRKNA 480 QLNI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UNU or .UNU2 or .UNU3 or :3UNU;style chemicals stick;color identity;select .A:192 or .A:193 or .A:196 or .A:219 or .A:244 or .A:245 or .A:275 or .A:311; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 5-fluoro-N-[4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl]isoindole-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of human NAMPT with isoindoline urea inhibitor compound 53 | PDB:5UPF | ||||
| Method | X-ray diffraction | Resolution | 1.69 Å | Mutation | No | [19] |
| PDB Sequence |
FNILLATDSY
18 KVTHYKQYPP28 NTSKVYSYFE38 CREYEETVFY60 GLQYILNKYL70 KGKVVTKEKI 80 QEAKDVYKEH90 FQDDVFNEKG100 WNYILEKYDG110 HLPIEIKAVP120 EGFVIPRGNV 130 LFTVENTDPE140 CYWLTNWIET150 ILVQSWYPIT160 VATNSREQKK170 ILAKYLLETS 180 GNLDGLEYKL190 HDFGYRGVSS200 QETAGIGASA210 HLVNFKGTDT220 VAGLALIKKY 230 YGTKDPVPGY240 SVPAAEHSTI250 TAWGKDHEKD260 AFEHIVTQFS270 SVPVSVVSDS 280 YDIYNACEKI290 WGEDLRHLIV300 SRSTQAPLII310 RPDSGNPLDT320 VLKVLEILGK 330 KFPVTENSKG340 YKLLPPYLRV350 IQGDGVDINT360 LQEIVEGMKQ370 KMWSIENIAF 380 GSGGGLLQKL390 TRDLLNCSFK400 CSYVVTNGLG410 INVFKDPVAD420 PNKRSKKGRL 430 SLHRTPAGNF440 VTLEEGKGDL450 EEYGQDLLHT460 VFKNGKVTKS470 YSFDEIRKNA 480 QLNI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8HV or .8HV2 or .8HV3 or :38HV;style chemicals stick;color identity;select .A:188 or .A:189 or .A:191 or .A:193 or .A:196 or .A:219 or .A:241 or .A:242 or .A:244 or .A:245 or .A:273 or .A:275 or .A:307 or .A:309 or .A:311 or .A:349 or .A:350 or .A:351 or .A:376 or .A:377 or .A:378 or .A:379; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR188
3.240
LYS189
2.946
HIS191
3.498
PHE193
3.434
ARG196
3.142
ASP219
3.122
SER241
3.766
VAL242
3.711
ALA244
3.477
ALA245
4.431
PRO273
4.910
|
|||||
| Ligand Name: N-[4-(3-phenylpropylcarbamoyl)phenyl]isoindole-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of human NAMPT with isoindoline urea inhibitor compound 5 | PDB:5UPE | ||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | No | [19] |
| PDB Sequence |
FNILLATDSY
18 KVTHYKQYPP28 NTSKVYSYFE38 CREYEETVFY60 GLQYILNKYL70 KGKVVTKEKI 80 QEAKDVYKEH90 FQDDVFNEKG100 WNYILEKYDG110 HLPIEIKAVP120 EGFVIPRGNV 130 LFTVENTDPE140 CYWLTNWIET150 ILVQSWYPIT160 VATNSREQKK170 ILAKYLLETS 180 GNLDGLEYKL190 HDFGYRGVSS200 QETAGIGASA210 HLVNFKGTDT220 VAGLALIKKY 230 YGTKDPVPGY240 SVPAAEHSTI250 TAWGKDHEKD260 AFEHIVTQFS270 SVPVSVVSDS 280 YDIYNACEKI290 WGEDLRHLIV300 SRSTQAPLII310 RPDSGNPLDT320 VLKVLEILGK 330 KFPVTENSKG340 YKLLPPYLRV350 IQGDGVDINT360 LQEIVEGMKQ370 KMWSIENIAF 380 GSGGGLLQKL390 TRDLLNCSFK400 CSYVVTNGLG410 INVFKDPVAD420 PNKRSKKGRL 430 SLHRTPAGNF440 VTLEEGKGDL450 EEYGQDLLHT460 VFKNGKVTKS470 YSFDEIRKNA 480 QLNI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8HY or .8HY2 or .8HY3 or :38HY;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:219 or .A:242 or .A:244 or .A:245 or .A:273 or .A:275 or .A:304 or .A:305 or .A:306 or .A:307 or .A:309 or .A:311 or .A:349 or .A:350 or .A:351 or .A:379; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR188
3.422
HIS191
3.700
PHE193
3.390
ARG196
3.321
ASP219
3.117
VAL242
3.555
ALA244
3.468
ALA245
4.500
PRO273
3.718
SER275
2.863
|
|||||
| Ligand Name: N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human NAMPT in complex with NVP-LTM976 | PDB:6PEB | ||||
| Method | X-ray diffraction | Resolution | 2.46 Å | Mutation | No | [20] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKVKYE55 ETVFYGLQYI65 LNKYLKGKVV 75 TKEKIQEAKD85 VYKEHFQDDV95 FNEKGWNYIL105 EKYDGHLPIE115 IKAVPEGFVI 125 PRGNVLFTVE135 NTDPECYWLT145 NWIETILVQS155 WYPITVATNS165 REQKKILAKY 175 LLETSGNLDG185 LEYKLHDFGY195 RGVSSQETAG205 IGASAHLVNF215 KGTDTVAGLA 225 LIKKYYGTKD235 PVPGYSVPAA245 EHSTITAWGK255 DHEKDAFEHI265 VTQFSSVPVS 275 VVSDSYDIYN285 ACEKIWGEDL295 RHLIVSRSTQ305 APLIIRPDSG315 NPLDTVLKVL 325 EILGKKFPVT335 ENSKGYKLLP345 PYLRVIQGDG355 VDINTLQEIV365 EGMKQKMWSI 375 ENIAFGSGGG385 LLQKLTRDLL395 NCSFKCSYVV405 TNGLGINVFK415 DPVADPNKRS 425 KKGRLSLHRT435 PAGNFVTLEE445 GKGDLEEYGQ455 DLLHTVFKNG465 KVTKSYSFDE 475 IRKNAQLNI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OE4 or .OE42 or .OE43 or :3OE4;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:219 or .A:241 or .A:242 or .A:244 or .A:245 or .A:273 or .A:275 or .A:304 or .A:305 or .A:307 or .A:309 or .A:311 or .A:349 or .A:351 or .A:379; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (1s,2s)-2-Phenyl-N-(Pyridin-4-Yl)cyclopropanecarboxamide | Ligand Info | |||||
| Structure Description | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | PDB:4LVF | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [2] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKYEET57 VFYGLQYILN67 KYLKGKVVTK 77 EKIQEAKDVY87 KEHFQDDVFN97 EKGWNYILEK107 YDGHLPIEIK117 AVPEGFVIPR 127 GNVLFTVENT137 DPECYWLTNW147 IETILVQSWY157 PITVATNSRE167 QKKILAKYLL 177 ETSGNLDGLE187 YKLHDFGYRG197 VSSQETAGIG207 ASAHLVNFKG217 TDTVAGLALI 227 KKYYGTKDPV237 PGYSVPAAEH247 STITAWGKDH257 EKDAFEHIVT267 QFSSVPVSVV 277 SDSYDIYNAC287 EKIWGEDLRH297 LIVSRSTQAP307 LIIRPDSGNP317 LDTVLKVLEI 327 LGKKFPVTEN337 SKGYKLLPPY347 LRVIQGDGVD357 INTLQEIVEG367 MKQKMWSIEN 377 IAFGSGGGLL387 QKLTRDLLNC397 SFKCSYVVTN407 GLGINVFKDP417 VADPNKRSKK 427 GRLSLHRTPA437 GNFVTLEEGK447 GDLEEYGQDL457 LHTVFKNGKV467 TKSYSFDEIR 477 KNAQLNIEL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .20P or .20P2 or .20P3 or :320P;style chemicals stick;color identity;select .A:191 or .A:193 or .A:196 or .A:219 or .A:241 or .A:242 or .A:244 or .A:245 or .A:275 or .A:309 or .A:311 or .A:351; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(4-{[4-(Pyrrolidin-1-Yl)piperidin-1-Yl]sulfonyl}benzyl)-2h-Pyrido[4,3-E][1,2,4]thiadiazin-3-Amine 1,1-Dioxide | Ligand Info | |||||
| Structure Description | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | PDB:4LVA | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [2] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKYEET57 VFYGLQYILN67 KYLKGKVVTK 77 EKIQEAKDVY87 KEHFQDDVFN97 EKGWNYILEK107 YDGHLPIEIK117 AVPEGFVIPR 127 GNVLFTVENT137 DPECYWLTNW147 IETILVQSWY157 PITVATNSRE167 QKKILAKYLL 177 ETSGNLDGLE187 YKLHDFGYRG197 VSSQETAGIG207 ASAHLVNFKG217 TDTVAGLALI 227 KKYYGTKDPV237 PGYSVPAAEH247 STITAWGKDH257 EKDAFEHIVT267 QFSSVPVSVV 277 SDSYDIYNAC287 EKIWGEDLRH297 LIVSRSTQAP307 LIIRPDSGNP317 LDTVLKVLEI 327 LGKKFPVTEN337 SKGYKLLPPY347 LRVIQGDGVD357 INTLQEIVEG367 MKQKMWSIEN 377 IAFGSGGGLL387 QKLTRDLLNC397 SFKCSYVVTN407 GLGINVFKDP417 VADPNKRSKK 427 GRLSLHRTPA437 GNFVTLEEGK447 GDLEEYGQDL457 LHTVFKNGKV467 TKSYSFDEIR 477 KNAQLNIEL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .20M or .20M2 or .20M3 or :320M;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:219 or .A:241 or .A:242 or .A:243 or .A:244 or .A:245 or .A:273 or .A:275 or .A:309 or .A:311 or .A:351 or .A:379 or .A:380; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-{4-[(3,5-Difluorophenyl)sulfonyl]benzyl}indolizine-7-Carboxamide | Ligand Info | |||||
| Structure Description | Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation by Human Nicotinamide Phosphoribosyltransferase | PDB:4O10 | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [5] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKKYEE56 TVFYGLQYIL66 NKYLKGKVVT 76 KEKIQEAKDV86 YKEHFQDDVF96 NEKGWNYILE106 KYDGHLPIEI116 KAVPEGFVIP 126 RGNVLFTVEN136 TDPECYWLTN146 WIETILVQSW156 YPITVATNSR166 EQKKILAKYL 176 LETSGNLDGL186 EYKLHDFGYR196 GVSSQETAGI206 GASAHLVNFK216 GTDTVAGLAL 226 IKKYYGTKDP236 VPGYSVPAAE246 HSTITAWGKD256 HEKDAFEHIV266 TQFSSVPVSV 276 VSDSYDIYNA286 CEKIWGEDLR296 HLIVSRSTQA306 PLIIRPDSGN316 PLDTVLKVLE 326 ILGKKFPVTE336 NSKGYKLLPP346 YLRVIQGDGV356 DINTLQEIVE366 GMKQKMWSIE 376 NIAFGSGGGL386 LQKLTRDLLN396 CSFKCSYVVT406 NGLGINVFKD416 PVADPNKRSK 426 KGRLSLHRTP436 AGNFVTLEEG446 KGDLEEYGQD456 LLHTVFKNGK466 VTKSYSFDEI 476 RKNAQLNIEL486 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2QF or .2QF2 or .2QF3 or :32QF;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:217 or .A:219 or .A:240 or .A:241 or .A:242 or .A:243 or .A:244 or .A:245 or .A:273 or .A:275 or .A:309 or .A:311 or .A:351 or .A:379; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[4-(Piperidin-1-Ylsulfonyl)benzyl]-1h-Pyrrolo[3,2-C]pyridine-2-Carboxamide | Ligand Info | |||||
| Structure Description | Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | PDB:4KFN | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [21] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKKYEE56 TVFYGLQYIL66 NKYLKGKVVT 76 KEKIQEAKDV86 YKEHFQDDVF96 NEKGWNYILE106 KYDGHLPIEI116 KAVPEGFVIP 126 RGNVLFTVEN136 TDPECYWLTN146 WIETILVQSW156 YPITVATNSR166 EQKKILAKYL 176 LETSGNLDGL186 EYKLHDFGYR196 GVSSQETAGI206 GASAHLVNFK216 GTDTVAGLAL 226 IKKYYGTKDP236 VPGYSVPAAE246 HSTITAWGKD256 HEKDAFEHIV266 TQFSSVPVSV 276 VSDSYDIYNA286 CEKIWGEDLR296 HLIVSRSTQA306 PLIIRPDSGN316 PLDTVLKVLE 326 ILGKKFPVTE336 NSKGYKLLPP346 YLRVIQGDGV356 DINTLQEIVE366 GMKQKMWSIE 376 NIAFGSGGGL386 LQKLTRDLLN396 CSFKCSYVVT406 NGLGINVFKD416 PVADPNKRSK 426 KGRLSLHRTP436 AGNFVTLEEG446 KGDLEEYGQD456 LLHTVFKNGK466 VTKSYSFDEI 476 RKNAQLNIEL486 EAA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1QR or .1QR2 or .1QR3 or :31QR;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:219 or .A:241 or .A:242 or .A:243 or .A:244 or .A:273 or .A:275 or .A:307 or .A:309 or .A:311 or .A:350 or .A:351 or .A:379; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-{4-[(3,5-Difluorophenyl)sulfonyl]benzyl}imidazo[1,2-A]pyridine-6-Carboxamide | Ligand Info | |||||
| Structure Description | Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | PDB:4KFO | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [21] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKVKYE55 ETVFYGLQYI65 LNKYLKGKVV 75 TKEKIQEAKD85 VYKEHFQDDV95 FNEKGWNYIL105 EKYDGHLPIE115 IKAVPEGFVI 125 PRGNVLFTVE135 NTDPECYWLT145 NWIETILVQS155 WYPITVATNS165 REQKKILAKY 175 LLETSGNLDG185 LEYKLHDFGY195 RGVSSQETAG205 IGASAHLVNF215 KGTDTVAGLA 225 LIKKYYGTKD235 PVPGYSVPAA245 EHSTITAWGK255 DHEKDAFEHI265 VTQFSSVPVS 275 VVSDSYDIYN285 ACEKIWGEDL295 RHLIVSRSTQ305 APLIIRPDSG315 NPLDTVLKVL 325 EILGKKFPVT335 ENSKGYKLLP345 PYLRVIQGDG355 VDINTLQEIV365 EGMKQKMWSI 375 ENIAFGSGGG385 LLQKLTRDLL395 NCSFKCSYVV405 TNGLGINVFK415 DPVADPNKRS 425 KKGRLSLHRT435 PAGNFVTLEE445 GKGDLEEYGQ455 DLLHTVFKNG465 KVTKSYSFDE 475 IRKNAQLNIE485 LE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1QS or .1QS2 or .1QS3 or :31QS;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:217 or .A:219 or .A:240 or .A:241 or .A:242 or .A:243 or .A:244 or .A:245 or .A:273 or .A:275 or .A:309 or .A:311 or .A:351 or .A:379; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-(4-(Phenylsulfonyl)benzyl)-1h-Pyrrolo[3,2-C]pyridine-2-Carboxamide | Ligand Info | |||||
| Structure Description | Discovery of Potent and Efficacious Cyanoguanidine-containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | PDB:4LWW | ||||
| Method | X-ray diffraction | Resolution | 1.64 Å | Mutation | No | [22] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKKYEE56 TVFYGLQYIL66 NKYLKGKVVT 76 KEKIQEAKDV86 YKEHFQDDVF96 NEKGWNYILE106 KYDGHLPIEI116 KAVPEGFVIP 126 RGNVLFTVEN136 TDPECYWLTN146 WIETILVQSW156 YPITVATNSR166 EQKKILAKYL 176 LETSGNLDGL186 EYKLHDFGYR196 GVSSQETAGI206 GASAHLVNFK216 GTDTVAGLAL 226 IKKYYGTKDP236 VPGYSVPAAE246 HSTITAWGKD256 HEKDAFEHIV266 TQFSSVPVSV 276 VSDSYDIYNA286 CEKIWGEDLR296 HLIVSRSTQA306 PLIIRPDSGN316 PLDTVLKVLE 326 ILGKKFPVTE336 NSKGYKLLPP346 YLRVIQGDGV356 DINTLQEIVE366 GMKQKMWSIE 376 NIAFGSGGGL386 LQKLTRDLLN396 CSFKCSYVVT406 NGLGINVFKD416 PVADPNKRSK 426 KGRLSLHRTP436 AGNFVTLEEG446 KGDLEEYGQD456 LLHTVFKNGK466 VTKSYSFDEI 476 RKNAQLNIEL486 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LWW or .LWW2 or .LWW3 or :3LWW;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:219 or .A:241 or .A:242 or .A:243 or .A:244 or .A:245 or .A:273 or .A:275 or .A:309 or .A:311 or .A:351 or .A:379; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Cyano-1-Pyridin-4-Yl-3-(4-{[3-(Trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine | Ligand Info | |||||
| Structure Description | Discovery of Potent and Efficacious Cyanoguanidine-containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | PDB:4LTS | ||||
| Method | X-ray diffraction | Resolution | 1.69 Å | Mutation | No | [22] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKVKYE55 ETVFYGLQYI65 LNKYLKGKVV 75 TKEKIQEAKD85 VYKEHFQDDV95 FNEKGWNYIL105 EKYDGHLPIE115 IKAVPEGFVI 125 PRGNVLFTVE135 NTDPECYWLT145 NWIETILVQS155 WYPITVATNS165 REQKKILAKY 175 LLETSGNLDG185 LEYKLHDFGY195 RGVSSQETAG205 IGASAHLVNF215 KGTDTVAGLA 225 LIKKYYGTKD235 PVPGYSVPAA245 EHSTITAWGK255 DHEKDAFEHI265 VTQFSSVPVS 275 VVSDSYDIYN285 ACEKIWGEDL295 RHLIVSRSTQ305 APLIIRPDSG315 NPLDTVLKVL 325 EILGKKFPVT335 ENSKGYKLLP345 PYLRVIQGDG355 VDINTLQEIV365 EGMKQKMWSI 375 ENIAFGSGGG385 LLQKLTRDLL395 NCSFKCSYVV405 TNGLGINVFK415 DPVADPNKRS 425 KKGRLSLHRT435 PAGNFVTLEE445 GKGDLEEYGQ455 DLLHTVFKNG465 KVTKSYSFDE 475 IRKNAQLNIE485 LE
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|||||
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LTS or .LTS2 or .LTS3 or :3LTS;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:216 or .A:217 or .A:219 or .A:240 or .A:241 or .A:242 or .A:243 or .A:244 or .A:273 or .A:275 or .A:309 or .A:311 or .A:351 or .A:379; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (1s,2s)-N-[4-(Phenylsulfonyl)phenyl]-2-(Pyridin-3-Yl)cyclopropanecarboxamide | Ligand Info | |||||
| Structure Description | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | PDB:4LVG | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [2] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKYEET57 VFYGLQYILN67 KYLKGKVVTK 77 EKIQEAKDVY87 KEHFQDDVFN97 EKGWNYILEK107 YDGHLPIEIK117 AVPEGFVIPR 127 GNVLFTVENT137 DPECYWLTNW147 IETILVQSWY157 PITVATNSRE167 QKKILAKYLL 177 ETSGNLDGLE187 YKLHDFGYRG197 VSSQETAGIG207 ASAHLVNFKG217 TDTVAGLALI 227 KKYYGTKDPV237 PGYSVPAAEH247 STITAWGKDH257 EKDAFEHIVT267 QFSSVPVSVV 277 SDSYDIYNAC287 EKIWGEDLRH297 LIVSRSTQAP307 LIIRPDSGNP317 LDTVLKVLEI 327 LGKKFPVTEN337 SKGYKLLPPY347 LRVIQGDGVD357 INTLQEIVEG367 MKQKMWSIEN 377 IAFGSGGGLL387 QKLTRDLLNC397 SFKCSYVVTN407 GLGINVFKDP417 VADPNKRSKK 427 GRLSLHRTPA437 GNFVTLEEGK447 GDLEEYGQDL457 LHTVFKNGKV467 TKSYSFDEIR 477 KNAQLNIEL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .20O or .20O2 or .20O3 or :320O;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:219 or .A:242 or .A:244 or .A:245 or .A:273 or .A:275 or .A:309 or .A:311 or .A:351 or .A:379; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[(1-Benzoylpiperidin-4-Yl)methyl]-N-(Pyridin-3-Yl)-1h-Benzimidazole-5-Carboxamide | Ligand Info | |||||
| Structure Description | Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | PDB:4N9E | ||||
| Method | X-ray diffraction | Resolution | 1.72 Å | Mutation | No | [9] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKKYEE56 TVFYGLQYIL66 NKYLKGKVVT 76 KEKIQEAKDV86 YKEHFQDDVF96 NEKGWNYILE106 KYDGHLPIEI116 KAVPEGFVIP 126 RGNVLFTVEN136 TDPECYWLTN146 WIETILVQSW156 YPITVATNSR166 EQKKILAKYL 176 LETSGNLDGL186 EYKLHDFGYR196 GVSSQETAGI206 GASAHLVNFK216 GTDTVAGLAL 226 IKKYYGTKDP236 VPGYSVPAAE246 HSTITAWGKD256 HEKDAFEHIV266 TQFSSVPVSV 276 VSDSYDIYNA286 CEKIWGEDLR296 HLIVSRSTQA306 PLIIRPDSGN316 PLDTVLKVLE 326 ILGKKFPVTE336 NSKGYKLLPP346 YLRVIQGDGV356 DINTLQEIVE366 GMKQKMWSIE 376 NIAFGSGGGL386 LQKLTRDLLN396 CSFKCSYVVT406 NGLGINVFKD416 PVADPNKRSK 426 KGRLSLHRTP436 AGNFVTLEEG446 KGDLEEYGQD456 LLHTVFKNGK466 VTKSYSFDEI 476 RKNAQLNIEL486 E
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|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2HL or .2HL2 or .2HL3 or :32HL;style chemicals stick;color identity;select .A:188 or .A:189 or .A:191 or .A:193 or .A:196 or .A:219 or .A:241 or .A:242 or .A:244 or .A:245 or .A:273 or .A:275 or .A:307 or .A:309 or .A:311 or .A:349 or .A:350 or .A:351 or .A:376 or .A:377 or .A:378 or .A:379; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR188
3.691
LYS189
3.222
HIS191
3.333
PHE193
3.168
ARG196
3.149
ASP219
3.277
SER241
3.649
VAL242
3.456
ALA244
3.679
ALA245
4.183
PRO273
4.687
|
|||||
| Ligand Name: N-(4-{(S)-[1-(2-Methylpropyl)piperidin-4-Yl]sulfinyl}benzyl)furo[2,3-C]pyridine-2-Carboxamide | Ligand Info | |||||
| Structure Description | The crystal structure of human Nicotinamide phosphoribosyltransferase (NAMPT) in complex with N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide inhibitor (compound 21) | PDB:4WQ6 | ||||
| Method | X-ray diffraction | Resolution | 1.72 Å | Mutation | No | [23] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKYEET57 VFYGLQYILN67 KYLKGKVVTK 77 EKIQEAKDVY87 KEHFQDDVFN97 EKGWNYILEK107 YDGHLPIEIK117 AVPEGFVIPR 127 GNVLFTVENT137 DPECYWLTNW147 IETILVQSWY157 PITVATNSRE167 QKKILAKYLL 177 ETSGNLDGLE187 YKLHDFGYRG197 VSSQETAGIG207 ASAHLVNFKG217 TDTVAGLALI 227 KKYYGTKDPV237 PGYSVPAAEH247 STITAWGKDH257 EKDAFEHIVT267 QFSSVPVSVV 277 SDSYDIYNAC287 EKIWGEDLRH297 LIVSRSTQAP307 LIIRPDSGNP317 LDTVLKVLEI 327 LGKKFPVTEN337 SKGYKLLPPY347 LRVIQGDGVD357 INTLQEIVEG367 MKQKMWSIEN 377 IAFGSGGGLL387 QKLTRDLLNC397 SFKCSYVVTN407 GLGINVFKDP417 VADPNKRSKK 427 GRLSLHRTPA437 GNFVTLEEGK447 GDLEEYGQDL457 LHTVFKNGKV467 TKSYSFDEIR 477 KNAQLNIEL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3TQ or .3TQ2 or .3TQ3 or :33TQ;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:219 or .A:241 or .A:242 or .A:243 or .A:244 or .A:245 or .A:273 or .A:275 or .A:304 or .A:305 or .A:307 or .A:309 or .A:311 or .A:350 or .A:351 or .A:379; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR188
3.840
HIS191
3.381
PHE193
3.382
ARG196
3.209
ASP219
3.203
SER241
3.656
VAL242
3.554
PRO243
4.904
ALA244
3.283
ALA245
4.805
|
|||||
| Ligand Name: 5-Nitrobenzimidazole | Ligand Info | |||||
| Structure Description | Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | PDB:4N9C | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [9] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKYEET57 VFYGLQYILN67 KYLKGKVVTK 77 EKIQEAKDVY87 KEHFQDDVFN97 EKGWNYILEK107 YDGHLPIEIK117 AVPEGFVIPR 127 GNVLFTVENT137 DPECYWLTNW147 IETILVQSWY157 PITVATNSRE167 QKKILAKYLL 177 ETSGNLDGLE187 YKLHDFGYRG197 VSSQETAGIG207 ASAHLVNFKG217 TDTVAGLALI 227 KKYYGTKDPV237 PGYSVPAAEH247 STITAWGKDH257 EKDAFEHIVT267 QFSSVPVSVV 277 SDSYDIYNAC287 EKIWGEDLRH297 LIVSRSTQAP307 LIIRPDSGNP317 LDTVLKVLEI 327 LGKKFPVTEN337 SKGYKLLPPY347 LRVIQGDGVD357 INTLQEIVEG367 MKQKMWSIEN 377 IAFGSGGGLL387 QKLTRDLLNC397 SFKCSYVVTN407 GLGINVFKDP417 VADPNKRSKK 427 GRLSLHRTPA437 GNFVTLEEGK447 GDLEEYGQDL457 LHTVFKNGKV467 TKSYSFDEIR 477 KNAQLNIEL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2ZM or .2ZM2 or .2ZM3 or :32ZM;style chemicals stick;color identity;select .A:191 or .A:193 or .A:219 or .A:241 or .A:242 or .A:244 or .A:245 or .A:275 or .A:309 or .A:311 or .A:351; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(4-nitrophenyl)cyclopropanecarboxamide | Ligand Info | |||||
| Structure Description | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | PDB:4LVD | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [2] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKYEET57 VFYGLQYILN67 KYLKGKVVTK 77 EKIQEAKDVY87 KEHFQDDVFN97 EKGWNYILEK107 YDGHLPIEIK117 AVPEGFVIPR 127 GNVLFTVENT137 DPECYWLTNW147 IETILVQSWY157 PITVATNSRE167 QKKILAKYLL 177 ETSGNLDGLE187 YKLHDFGYRG197 VSSQETAGIG207 ASAHLVNFKG217 TDTVAGLALI 227 KKYYGTKDPV237 PGYSVPAAEH247 STITAWGKDH257 EKDAFEHIVT267 QFSSVPVSVV 277 SDSYDIYNAC287 EKIWGEDLRH297 LIVSRSTQAP307 LIIRPDSGNP317 LDTVLKVLEI 327 LGKKFPVTEN337 SKGYKLLPPY347 LRVIQGDGVD357 INTLQEIVEG367 MKQKMWSIEN 377 IAFGSGGGLL387 QKLTRDLLNC397 SFKCSYVVTN407 GLGINVFKDP417 VADPNKRSKK 427 GRLSLHRTPA437 GNFVTLEEGK447 GDLEEYGQDL457 LHTVFKNGKV467 TKSYSFDEIR 477 KNAQLNIEL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1EB or .1EB2 or .1EB3 or :31EB;style chemicals stick;color identity;select .B:191 or .B:193 or .B:196 or .B:219 or .B:241 or .B:242 or .B:243 or .B:244 or .B:275 or .B:311; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(4-{[3-(Trifluoromethyl)phenyl]sulfonyl}benzyl)-2h-Pyrazolo[3,4-B]pyridine-5-Carboxamide | Ligand Info | |||||
| Structure Description | The crystal structure of NAMPT in complex with GNE-618 | PDB:4O13 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [4] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKKYEE56 TVFYGLQYIL66 NKYLKGKVVT 76 KEKIQEAKDV86 YKEHFQDDVF96 NEKGWNYILE106 KYDGHLPIEI116 KAVPEGFVIP 126 RGNVLFTVEN136 TDPECYWLTN146 WIETILVQSW156 YPITVATNSR166 EQKKILAKYL 176 LETSGNLDGL186 EYKLHDFGYR196 GVSSQETAGI206 GASAHLVNFK216 GTDTVAGLAL 226 IKKYYGTKDP236 VPGYSVPAAE246 HSTITAWGKD256 HEKDAFEHIV266 TQFSSVPVSV 276 VSDSYDIYNA286 CEKIWGEDLR296 HLIVSRSTQA306 PLIIRPDSGN316 PLDTVLKVLE 326 ILGKKFPVTE336 NSKGYKLLPP346 YLRVIQGDGV356 DINTLQEIVE366 GMKQKMWSIE 376 NIAFGSGGGL386 LQKLTRDLLN396 CSFKCSYVVT406 NGLGINVFKD416 PVADPNKRSK 426 KGRLSLHRTP436 AGNFVTLEEG446 KGDLEEYGQD456 LLHTVFKNGK466 VTKSYSFDEI 476 RKNAQLNIEL486 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2P1 or .2P12 or .2P13 or :32P1;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:216 or .A:217 or .A:218 or .A:219 or .A:240 or .A:241 or .A:242 or .A:243 or .A:244 or .A:245 or .A:273 or .A:275 or .A:309 or .A:311 or .A:351 or .A:379; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR188
3.107
HIS191
3.198
PHE193
3.302
ARG196
3.175
LYS216
4.487
GLY217
3.522
THR218
4.918
ASP219
2.807
TYR240
3.221
SER241
3.171
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-[4-(Phenylsulfonyl)benzyl]-2h-Pyrazolo[3,4-B]pyridine-5-Carboxamide | Ligand Info | |||||
| Structure Description | Identification of Amides Derived From 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | PDB:4M6P | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [2] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKKYEE56 TVFYGLQYIL66 NKYLKGKVVT 76 KEKIQEAKDV86 YKEHFQDDVF96 NEKGWNYILE106 KYDGHLPIEI116 KAVPEGFVIP 126 RGNVLFTVEN136 TDPECYWLTN146 WIETILVQSW156 YPITVATNSR166 EQKKILAKYL 176 LETSGNLDGL186 EYKLHDFGYR196 GVSSQETAGI206 GASAHLVNFK216 GTDTVAGLAL 226 IKKYYGTKDP236 VPGYSVPAAE246 HSTITAWGKD256 HEKDAFEHIV266 TQFSSVPVSV 276 VSDSYDIYNA286 CEKIWGEDLR296 HLIVSRSTQA306 PLIIRPDSGN316 PLDTVLKVLE 326 ILGKKFPVTE336 NSKGYKLLPP346 YLRVIQGDGV356 DINTLQEIVE366 GMKQKMWSIE 376 NIAFGSGGGL386 LQKLTRDLLN396 CSFKCSYVVT406 NGLGINVFKD416 PVADPNKRSK 426 KGRLSLHRTP436 AGNFVTLEEG446 KGDLEEYGQD456 LLHTVFKNGK466 VTKSYSFDEI 476 RKNAQLNIEL486 EA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .20R or .20R2 or .20R3 or :320R;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:219 or .A:240 or .A:241 or .A:242 or .A:243 or .A:244 or .A:245 or .A:273 or .A:275 or .A:309 or .A:311 or .A:351 or .A:379; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-({4-[(3,5-Difluorophenyl)sulfonyl]benzyl}carbamoyl)-1-(5-O-Phosphono-Beta-D-Ribofuranosyl)imidazo[1,2-A]pyridin-1-Ium | Ligand Info | |||||
| Structure Description | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors | PDB:4O16 | ||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | Yes | [4] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKYEET57 VFYGLQYILN67 KYLKGKVVTK 77 EKIQEAKDVY87 KEHFQDDVFN97 EKGWNYILEK107 YDGHLPIEIK117 AVPEGFVIPR 127 GNVLFTVENT137 DPECYWLTNW147 IETILVQSWY157 PITVATNFRE167 QKKILAKYLL 177 ETSGNLDGLE187 YKLHDFGYRG197 VSSQETAGIG207 ASAHLVNFKG217 TDTVAGLALI 227 KKYYGTKDPV237 PGYSVPAAEH247 STITAWGKDH257 EKDAFEHIVT267 QFSSVPVSVV 277 SDSYDIYNAC287 EKIWGEDLRH297 LIVSRSTQAP307 LIIRPDSGNP317 LDTVLKVLEI 327 LGKKFPVTEN337 SKGYKLLPPY347 LRVIQGDGVD357 INTLQEIVEG367 MKQKMWSIEN 377 IAFGSGGGLL387 QKLTRDLLNC397 SFKCSYVVTN407 GLGINVFKDP417 VADPNKRSKK 427 GRLSLHRTPA437 GNFVTLEEGK447 GDLEEYGQDL457 LHTVFKNGKV467 TKSYSFDEIR 477 KNAQLNIELE487
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1XC or .1XC2 or .1XC3 or :31XC;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:194 or .A:196 or .A:197 or .A:217 or .A:219 or .A:240 or .A:241 or .A:242 or .A:243 or .A:244 or .A:245 or .A:273 or .A:275 or .A:309 or .A:311 or .A:313 or .A:351 or .A:353 or .A:379 or .A:383 or .A:384 or .A:385; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR188
3.488
HIS191
3.161
PHE193
3.480
GLY194
4.502
ARG196
2.980
GLY197
3.838
GLY217
4.586
ASP219
3.018
TYR240
3.988
SER241
3.551
VAL242
3.310
PRO243
4.388
ALA244
3.196
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-(4-{[1-(Tetrahydro-2h-Pyran-4-Yl)piperidin-4-Yl]sulfonyl}benzyl)-2h-Pyrrolo[3,4-C]pyridine-2-Carboxamide | Ligand Info | |||||
| Structure Description | Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived Ureas as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | PDB:4KFP | ||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | No | [24] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKYEET57 VFYGLQYILN67 KYLKGKVVTK 77 EKIQEAKDVY87 KEHFQDDVFN97 EKGWNYILEK107 YDGHLPIEIK117 AVPEGFVIPR 127 GNVLFTVENT137 DPECYWLTNW147 IETILVQSWY157 PITVATNSRE167 QKKILAKYLL 177 ETSGNLDGLE187 YKLHDFGYRG197 VSSQETAGIG207 ASAHLVNFKG217 TDTVAGLALI 227 KKYYGTKDPV237 PGYSVPAAEH247 STITAWGKDH257 EKDAFEHIVT267 QFSSVPVSVV 277 SDSYDIYNAC287 EKIWGEDLRH297 LIVSRSTQAP307 LIIRPDSGNP317 LDTVLKVLEI 327 LGKKFPVTEN337 SKGYKLLPPY347 LRVIQGDGVD357 INTLQEIVEG367 MKQKMWSIEN 377 IAFGSGGGLL387 QKLTRDLLNC397 SFKCSYVVTN407 GLGINVFKDP417 VADPNKRSKK 427 GRLSLHRTPA437 GNFVTLEEGK447 GDLEEYGQDL457 LHTVFKNGKV467 TKSYSFDEIR 477 KNAQLNIEL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1R7 or .1R72 or .1R73 or :31R7;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:219 or .A:241 or .A:242 or .A:243 or .A:244 or .A:273 or .A:275 or .A:304 or .A:305 or .A:306 or .A:307 or .A:309 or .A:311 or .A:351 or .A:379; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[4-(acetylamino)phenyl]cyclopropanecarboxamide | Ligand Info | |||||
| Structure Description | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | PDB:4LVB | ||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | No | [2] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKKYEE56 TVFYGLQYIL66 NKYLKGKVVT 76 KEKIQEAKDV86 YKEHFQDDVF96 NEKGWNYILE106 KYDGHLPIEI116 KAVPEGFVIP 126 RGNVLFTVEN136 TDPECYWLTN146 WIETILVQSW156 YPITVATNSR166 EQKKILAKYL 176 LETSGNLDGL186 EYKLHDFGYR196 GVSSQETAGI206 GASAHLVNFK216 GTDTVAGLAL 226 IKKYYGTKDP236 VPGYSVPAAE246 HSTITAWGKD256 HEKDAFEHIV266 TQFSSVPVSV 276 VSDSYDIYNA286 CEKIWGEDLR296 HLIVSRSTQA306 PLIIRPDSGN316 PLDTVLKVLE 326 ILGKKFPVTE336 NSKGYKLLPP346 YLRVIQGDGV356 DINTLQEIVE366 GMKQKMWSIE 376 NIAFGSGGGL386 LQKLTRDLLN396 CSFKCSYVVT406 NGLGINVFKD416 PVADPNKRSK 426 KGRLSLHRTP436 AGNFVTLEEG446 KGDLEEYGQD456 LLHTVFKNGK466 VTKSYSFDEI 476 RKNAQLNIEL486 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .20N or .20N2 or .20N3 or :320N;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:219 or .A:241 or .A:242 or .A:244 or .A:245 or .A:275 or .A:309 or .A:311 or .A:350 or .A:351 or .A:379; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[4-(Piperidin-1-Ylsulfonyl)phenyl]-3-(Pyridin-3-Ylmethyl)thiourea | Ligand Info | |||||
| Structure Description | Structure-based Identification of Ureas as Novel Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | PDB:4JR5 | ||||
| Method | X-ray diffraction | Resolution | 1.91 Å | Mutation | No | [21] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKKYEE56 TVFYGLQYIL66 NKYLKGKVVT 76 KEKIQEAKDV86 YKEHFQDDVF96 NEKGWNYILE106 KYDGHLPIEI116 KAVPEGFVIP 126 RGNVLFTVEN136 TDPECYWLTN146 WIETILVQSW156 YPITVATNSR166 EQKKILAKYL 176 LETSGNLDGL186 EYKLHDFGYR196 GVSSQETAGI206 GASAHLVNFK216 GTDTVAGLAL 226 IKKYYGTKDP236 VPGYSVPAAE246 HSTITAWGKD256 HEKDAFEHIV266 TQFSSVPVSV 276 VSDSYDIYNA286 CEKIWGEDLR296 HLIVSRSTQA306 PLIIRPDSGN316 PLDTVLKVLE 326 ILGKKFPVTE336 NSKGYKLLPP346 YLRVIQGDGV356 DINTLQEIVE366 GMKQKMWSIE 376 NIAFGSGGGL386 LQKLTRDLLN396 CSFKCSYVVT406 NGLGINVFKD416 PVADPNKRSK 426 KGRLSLHRTP436 AGNFVTLEEG446 KGDLEEYGQD456 LLHTVFKNGK466 VTKSYSFDEI 476 RKNAQLNIEL486 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1LS or .1LS2 or .1LS3 or :31LS;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:219 or .A:241 or .A:242 or .A:244 or .A:245 or .A:273 or .A:275 or .A:307 or .A:309 or .A:311 or .A:350 or .A:351 or .A:379; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-{4-[(3,5-Difluorophenyl)sulfonyl]benzyl}indolizine-6-Carboxamide | Ligand Info | |||||
| Structure Description | Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation by Human Nicotinamide Phosphoribosyltransferase | PDB:4O0Z | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [5] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKKYEE56 TVFYGLQYIL66 NKYLKGKVVT 76 KEKIQEAKDV86 YKEHFQDDVF96 NEKGWNYILE106 KYDGHLPIEI116 KAVPEGFVIP 126 RGNVLFTVEN136 TDPECYWLTN146 WIETILVQSW156 YPITVATNSR166 EQKKILAKYL 176 LETSGNLDGL186 EYKLHDFGYR196 GVSSQETAGI206 GASAHLVNFK216 GTDTVAGLAL 226 IKKYYGTKDP236 VPGYSVPAAE246 HSTITAWGKD256 HEKDAFEHIV266 TQFSSVPVSV 276 VSDSYDIYNA286 CEKIWGEDLR296 HLIVSRSTQA306 PLIIRPDSGN316 PLDTVLKVLE 326 ILGKKFPVTE336 NSKGYKLLPP346 YLRVIQGDGV356 DINTLQEIVE366 GMKQKMWSIE 376 NIAFGSGGGL386 LQKLTRDLLN396 CSFKCSYVVT406 NGLGINVFKD416 PVADPNKRSK 426 KGRLSLHRTP436 AGNFVTLEEG446 KGDLEEYGQD456 LLHTVFKNGK466 VTKSYSFDEI 476 RKNAQLNIEL486 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2RM or .2RM2 or .2RM3 or :32RM;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:217 or .A:219 or .A:240 or .A:241 or .A:242 or .A:243 or .A:244 or .A:245 or .A:273 or .A:275 or .A:309 or .A:311 or .A:351 or .A:379 or .A:380; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[(6-Aminopyridin-3-Yl)methyl]-3-[4-(Phenylsulfonyl)phenyl]urea | Ligand Info | |||||
| Structure Description | Discovery of Potent and Efficacious Urea-containing Nicotinamide Phosphoribosyltransferase (NAMPT) Inhibitors with Reduced CYP2C9 Inhibition Properties | PDB:4JNM | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [25] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKKYEE56 TVFYGLQYIL66 NKYLKGKVVT 76 KEKIQEAKDV86 YKEHFQDDVF96 NEKGWNYILE106 KYDGHLPIEI116 KAVPEGFVIP 126 RGNVLFTVEN136 TDPECYWLTN146 WIETILVQSW156 YPITVATNSR166 EQKKILAKYL 176 LETSGNLDGL186 EYKLHDFGYR196 GVSSQETAGI206 GASAHLVNFK216 GTDTVAGLAL 226 IKKYYGTKDP236 VPGYSVPAAE246 HSTITAWGKD256 HEKDAFEHIV266 TQFSSVPVSV 276 VSDSYDIYNA286 CEKIWGEDLR296 HLIVSRSTQA306 PLIIRPDSGN316 PLDTVLKVLE 326 ILGKKFPVTE336 NSKGYKLLPP346 YLRVIQGDGV356 DINTLQEIVE366 GMKQKMWSIE 376 NIAFGSGGGL386 LQKLTRDLLN396 CSFKCSYVVT406 NGLGINVFKD416 PVADPNKRSK 426 KGRLSLHRTP436 AGNFVTLEEG446 KGDLEEYGQD456 LLHTVFKNGK466 VTKSYSFDEI 476 RKNAQLNIEL486 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1LJ or .1LJ2 or .1LJ3 or :31LJ;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:219 or .A:242 or .A:244 or .A:245 or .A:273 or .A:275 or .A:307 or .A:309 or .A:311 or .A:351 or .A:379; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(5-O-Phosphono-Beta-D-Ribofuranosyl)-N-(4-{[3-(Trifluoromethyl)phenyl]sulfonyl}benzyl)-1h-Pyrazolo[3,4-B]pyridine-5-Carboxamide | Ligand Info | |||||
| Structure Description | Identification of Amides Derived From 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | PDB:4M6Q | ||||
| Method | X-ray diffraction | Resolution | 2.41 Å | Mutation | No | [2] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKKYEE56 TVFYGLQYIL66 NKYLKGKVVT 76 KEKIQEAKDV86 YKEHFQDDVF96 NEKGWNYILE106 KYDGHLPIEI116 KAVPEGFVIP 126 RGNVLFTVEN136 TDPECYWLTN146 WIETILVQSW156 YPITVATNSR166 EQKKILAKYL 176 LETSGNLDGL186 EYKLHDFGYR196 GVSSQETAGI206 GASAHLVNFK216 GTDTVAGLAL 226 IKKYYGTKDP236 VPGYSVPAAE246 HSTITAWGKD256 HEKDAFEHIV266 TQFSSVPVSV 276 VSDSYDIYNA286 CEKIWGEDLR296 HLIVSRSTQA306 PLIIRPDSGN316 PLDTVLKVLE 326 ILGKKFPVTE336 NSKGYKLLPP346 YLRVIQGDGV356 DINTLQEIVE366 GMKQKMWSIE 376 NIAFGSGGGL386 LQKLTRDLLN396 CSFKCSYVVT406 NGLGINVFKD416 PVADPNKRSK 426 KGRLSLHRTP436 AGNFVTLEEG446 KGDLEEYGQD456 LLHTVFKNGK466 VTKSYSFDEI 476 RKNAQLNIEL486 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .20T or .20T2 or .20T3 or :320T;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:197 or .A:216 or .A:217 or .A:218 or .A:219 or .A:240 or .A:241 or .A:242 or .A:243 or .A:244 or .A:245 or .A:273 or .A:275 or .A:309 or .A:311 or .A:313 or .A:351 or .A:353 or .A:354 or .A:355 or .A:379 or .A:382 or .A:383 or .A:384 or .A:385; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR188
3.016
HIS191
3.238
PHE193
3.196
ARG196
3.228
GLY197
4.746
LYS216
4.753
GLY217
3.595
THR218
4.902
ASP219
3.030
TYR240
3.437
SER241
3.132
VAL242
3.322
PRO243
4.661
ALA244
3.389
ALA245
4.976
|
|||||
| Ligand Name: (1S,2S)-N-{4-[(1S)-1-(propanoylamino)ethyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human NAMPT in complex with NVP-LVR596 | PDB:6B76 | ||||
| Method | X-ray diffraction | Resolution | 2.44 Å | Mutation | No | [26] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKVKYE55 ETVFYGLQYI65 LNKYLKGKVV 75 TKEKIQEAKD85 VYKEHFQDDV95 FNEKGWNYIL105 EKYDGHLPIE115 IKAVPEGFVI 125 PRGNVLFTVE135 NTDPECYWLT145 NWIETILVQS155 WYPITVATNS165 REQKKILAKY 175 LLETSGNLDG185 LEYKLHDFGY195 RGVSSQETAG205 IGASAHLVNF215 KGTDTVAGLA 225 LIKKYYGTKD235 PVPGYSVPAA245 EHSTITAWGK255 DHEKDAFEHI265 VTQFSSVPVS 275 VVSDSYDIYN285 ACEKIWGEDL295 RHLIVSRSTQ305 APLIIRPDSG315 NPLDTVLKVL 325 EILGKKFPVT335 ENSKGYKLLP345 PYLRVIQGDG355 VDINTLQEIV365 EGMKQKMWSI 375 ENIAFGSGGG385 LLQKLTRDLL395 NCSFKCSYVV405 TNGLGINVFK415 DPVADPNKRS 425 KKGRLSLHRT435 PAGNFVTLEE445 GKGDLEEYGQ455 DLLHTVFKNG465 KVTKSYSFDE 475 IRKNAQLNIE485
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CVJ or .CVJ2 or .CVJ3 or :3CVJ;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:219 or .A:240 or .A:241 or .A:242 or .A:244 or .A:245 or .A:273 or .A:275 or .A:309 or .A:311 or .A:351 or .A:379; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-{4-[(3,5-Difluorophenyl)sulfonyl]benzyl}imidazo[1,2-A]pyridine-7-Carboxamide | Ligand Info | |||||
| Structure Description | Structural Analysis of a Phosphoribosylated Inhibitor in Complex with Human Nicotinamide Phosphoribosyltransferase | PDB:4L4M | ||||
| Method | X-ray diffraction | Resolution | 2.44 Å | Mutation | No | [5] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKKYEE56 TVFYGLQYIL66 NKYLKGKVVT 76 KEKIQEAKDV86 YKEHFQDDVF96 NEKGWNYILE106 KYDGHLPIEI116 KAVPEGFVIP 126 RGNVLFTVEN136 TDPECYWLTN146 WIETILVQSW156 YPITVATNSR166 EQKKILAKYL 176 LETSGNLDGL186 EYKLHDFGYR196 GVSSQETAGI206 GASAHLVNFK216 GTDTVAGLAL 226 IKKYYGTKDP236 VPGYSVPAAE246 HSTITAWGKD256 HEKDAFEHIV266 TQFSSVPVSV 276 VSDSYDIYNA286 CEKIWGEDLR296 HLIVSRSTQA306 PLIIRPDSGN316 PLDTVLKVLE 326 ILGKKFPVTE336 NSKGYKLLPP346 YLRVIQGDGV356 DINTLQEIVE366 GMKQKMWSIE 376 NIAFGSGGGL386 LQKLTRDLLN396 CSFKCSYVVT406 NGLGINVFKD416 PVADPNKRSK 426 KGRLSLHRTP436 AGNFVTLEEG446 KGDLEEYGQD456 LLHTVFKNGK466 VTKSYSFDEI 476 RKNAQLNIEL486 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1XD or .1XD2 or .1XD3 or :31XD;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:217 or .A:219 or .A:240 or .A:241 or .A:242 or .A:243 or .A:244 or .A:245 or .A:273 or .A:275 or .A:309 or .A:311 or .A:351 or .A:379 or .A:380; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[(piperazin-1-yl)methyl]-N-{[4-({[(pyridin-3-yl)methyl]carbamoyl}amino)phenyl]methyl}benzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human NAMPT in complex with NVP-LOQ594 | PDB:6B75 | ||||
| Method | X-ray diffraction | Resolution | 2.53 Å | Mutation | No | [27] |
| PDB Sequence |
FNILLATDSY
18 KVTHYKQYPP28 NTSKVYSYFE38 CREKKYEETV58 FYGLQYILNK68 YLKGKVVTKE 78 KIQEAKDVYK88 EHFQDDVFNE98 KGWNYILEKY108 DGHLPIEIKA118 VPEGFVIPRG 128 NVLFTVENTD138 PECYWLTNWI148 ETILVQSWYP158 ITVATNSREQ168 KKILAKYLLE 178 TSGNLDGLEY188 KLHDFGYRGV198 SSQETAGIGA208 SAHLVNFKGT218 DTVAGLALIK 228 KYYGTKDPVP238 GYSVPAAEHS248 TITAWGKDHE258 KDAFEHIVTQ268 FSSVPVSVVS 278 DSYDIYNACE288 KIWGEDLRHL298 IVSRSTQAPL308 IIRPDSGNPL318 DTVLKVLEIL 328 GKKFPVTENS338 KGYKLLPPYL348 RVIQGDGVDI358 NTLQEIVEGM368 KQKMWSIENI 378 AFGSGGGLLQ388 KLTRDLLNCS398 FKCSYVVTNG408 LGINVFKDPV418 ADPNKRSKKG 428 RLSLHRTPAG438 NFVTLEEGKG448 DLEEYGQDLL458 HTVFKNGKVT468 KSYSFDEIRK 478 NAQLNI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CVP or .CVP2 or .CVP3 or :3CVP;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:219 or .A:242 or .A:244 or .A:245 or .A:273 or .A:275 or .A:304 or .A:305 or .A:306 or .A:307 or .A:309 or .A:311 or .A:349 or .A:350 or .A:351 or .A:379; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR188
3.927
HIS191
3.341
PHE193
3.258
ARG196
3.861
ASP219
3.315
VAL242
3.603
ALA244
3.414
ALA245
4.351
PRO273
3.503
SER275
2.723
|
|||||
| Ligand Name: N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-N'-[(pyridin-3-yl)methyl]urea | Ligand Info | |||||
| Structure Description | Crystal Structure of human NAMPT in complex with NVP-LOD812 | PDB:6ATB | ||||
| Method | X-ray diffraction | Resolution | 2.53 Å | Mutation | No | [28] |
| PDB Sequence |
FNILLATDSY
18 KVTHYKQYPP28 NTSKVYSYFE38 CREKKYEETV58 FYGLQYILNK68 YLKGKVVTKE 78 KIQEAKDVYK88 EHFQDDVFNE98 KGWNYILEKY108 DGHLPIEIKA118 VPEGFVIPRG 128 NVLFTVENTD138 PECYWLTNWI148 ETILVQSWYP158 ITVATNSREQ168 KKILAKYLLE 178 TSGNLDGLEY188 KLHDFGYRGV198 SSQETAGIGA208 SAHLVNFKGT218 DTVAGLALIK 228 KYYGTKDPVP238 GYSVPAAEHS248 TITAWGKDHE258 KDAFEHIVTQ268 FSSVPVSVVS 278 DSYDIYNACE288 KIWGEDLRHL298 IVSRSTQAPL308 IIRPDSGNPL318 DTVLKVLEIL 328 GKKFPVTENS338 KGYKLLPPYL348 RVIQGDGVDI358 NTLQEIVEGM368 KQKMWSIENI 378 AFGSGGGLLQ388 KLTRDLLNCS398 FKCSYVVTNG408 LGINVFKDPV418 ADPNKRSKKG 428 RLSLHRTPAG438 NFVTLEEGKG448 DLEEYGQDLL458 HTVFKNGKVT468 KSYSFDEIRK 478 NAQLNI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BWA or .BWA2 or .BWA3 or :3BWA;style chemicals stick;color identity;select .A:188 or .A:191 or .A:193 or .A:196 or .A:219 or .A:241 or .A:242 or .A:244 or .A:245 or .A:273 or .A:275 or .A:304 or .A:305 or .A:307 or .A:309 or .A:311 or .A:349 or .A:350 or .A:351 or .A:379; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR188
3.650
HIS191
3.304
PHE193
3.239
ARG196
3.944
ASP219
3.197
SER241
4.452
VAL242
3.556
ALA244
3.394
ALA245
4.294
PRO273
3.647
|
|||||
| Ligand Name: 1-methyl-N-(pyridin-3-yl)-1H-pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | PDB:4N9B | ||||
| Method | X-ray diffraction | Resolution | 2.86 Å | Mutation | No | [9] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKYEET57 VFYGLQYILN67 KYLKGKVVTK 77 EKIQEAKDVY87 KEHFQDDVFN97 EKGWNYILEK107 YDGHLPIEIK117 AVPEGFVIPR 127 GNVLFTVENT137 DPECYWLTNW147 IETILVQSWY157 PITVATNSRE167 QKKILAKYLL 177 ETSGNLDGLE187 YKLHDFGYRG197 VSSQETAGIG207 ASAHLVNFKG217 TDTVAGLALI 227 KKYYGTKDPV237 PGYSVPAAEH247 STITAWGKDH257 EKDAFEHIVT267 QFSSVPVSVV 277 SDSYDIYNAC287 EKIWGEDLRH297 LIVSRSTQAP307 LIIRPDSGNP317 LDTVLKVLEI 327 LGKKFPVTEN337 SKGYKLLPPY347 LRVIQGDGVD357 INTLQEIVEG367 MKQKMWSIEN 377 IAFGSGGGLL387 QKLTRDLLNC397 SFKCSYVVTN407 GLGINVFKDP417 VADPNKRSKK 427 GRLSLHRTPA437 GNFVTLEEGK447 GDLEEYGQDL457 LHTVFKNGKV467 TKSYSFDEIR 477 KNAQLNIEL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2HH or .2HH2 or .2HH3 or :32HH;style chemicals stick;color identity;select .A:191 or .A:192 or .A:193 or .A:196 or .A:219 or .A:241 or .A:242 or .A:244 or .A:245 or .A:275 or .A:311 or .A:351; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2E)-N-{4-[1-(3-aminobenzene-1-carbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide | Ligand Info | |||||
| Structure Description | NAMPT co-crystal with inhibitor compound 2 | PDB:6E68 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [29] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKKYEE56 TVFYGLQYIL66 NKYLKGKVVT 76 KEKIQEAKDV86 YKEHFQDDVF96 NEKGWNYILE106 KYDGHLPIEI116 KAVPEGFVIP 126 RGNVLFTVEN136 TDPECYWLTN146 WIETILVQSW156 YPITVATNSR166 EQKKILAKYL 176 LETSGNLDGL186 EYKLHDFGYR196 GVSSQETAGI206 GASAHLVNFK216 GTDTVAGLAL 226 IKKYYGTKDP236 VPGYSVPAAE246 HSTITAWGKD256 HEKDAFEHIV266 TQFSSVPVSV 276 VSDSYDIYNA286 CEKIWGEDLR296 HLIVSRSTQA306 PLIIRPDSGN316 PLDTVLKVLE 326 ILGKKFPVTE336 NSKGYKLLPP346 YLRVIQGDGV356 DINTLQEIVE366 GMKQKMWSIE 376 NIAFGSGGGL386 LQKLTRDLLN396 CSFKCSYVVT406 NGLGINVFKD416 PVADPNKRSK 426 KGRLSLHRTP436 AGNFVTLEEG446 KGDLEEYGQD456 LLHTVFKNGK466 VTKSYSFDEI 476 RKNAQLNIEL486 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HVM or .HVM2 or .HVM3 or :3HVM;style chemicals stick;color identity;select .A:184 or .A:185 or .A:188 or .A:189 or .A:191 or .A:193 or .A:195 or .A:196 or .A:217 or .A:219 or .A:241 or .A:242 or .A:243 or .A:244 or .A:245 or .A:273 or .A:275 or .A:307 or .A:309 or .A:311 or .A:349 or .A:350 or .A:351 or .A:375 or .A:376 or .A:377 or .A:378 or .A:379; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASP184
4.936
GLY185
4.019
TYR188
2.354
LYS189
2.101
HIS191
2.814
PHE193
2.960
TYR195
4.735
ARG196
2.617
GLY217
4.484
ASP219
2.393
SER241
3.211
VAL242
2.498
PRO243
4.037
ALA244
2.880
|
|||||
| Ligand Name: N-[4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl]pyrrolo[3,4-c]pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of human NAMPT with A-1326133 | PDB:5U2N | ||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | No | [30] |
| PDB Sequence |
FNILLATDSY
18 KVTHYKQYPP28 NTSKVYSYFE38 CREYEETVFY60 GLQYILNKYL70 KGKVVTKEKI 80 QEAKDVYKEH90 FQDDVFNEKG100 WNYILEKYDG110 HLPIEIKAVP120 EGFVIPRGNV 130 LFTVENTDPE140 CYWLTNWIET150 ILVQSWYPIT160 VATNSREQKK170 ILAKYLLETS 180 GNLDGLEYKL190 HDFGYRGVSS200 QETAGIGASA210 HLVNFKGTDT220 VAGLALIKKY 230 YGTKDPVPGY240 SVPAAEHSTI250 TAWGKDHEKD260 AFEHIVTQFS270 SVPVSVVSDS 280 YDIYNACEKI290 WGEDLRHLIV300 SRSTQAPLII310 RPDSGNPLDT320 VLKVLEILGK 330 KFPVTENSKG340 YKLLPPYLRV350 IQGDGVDINT360 LQEIVEGMKQ370 KMWSIENIAF 380 GSGGGLLQKL390 TRDLLNCSFK400 CSYVVTNGLG410 INVFKDPVAD420 PNKRSKKGRL 430 SLHRTPAGNF440 VTLEEGKGDL450 EEYGQDLLHT460 VFKNGKVTKS470 YSFDEIRKNA 480 QLNIE
|
|||||
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7TA or .7TA2 or .7TA3 or :37TA;style chemicals stick;color identity;select .A:188 or .A:189 or .A:191 or .A:193 or .A:196 or .A:219 or .A:241 or .A:242 or .A:244 or .A:245 or .A:273 or .A:275 or .A:307 or .A:309 or .A:311 or .A:349 or .A:351 or .A:376 or .A:378 or .A:379; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR188
3.132
LYS189
4.091
HIS191
3.492
PHE193
3.411
ARG196
3.507
ASP219
3.202
SER241
3.838
VAL242
3.668
ALA244
3.563
ALA245
4.481
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| Ligand Name: N-[4-({[(3s)-Oxolan-3-Yl]methyl}carbamoyl)phenyl]-1,3-Dihydro-2h-Isoindole-2-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of human NAMPT with A-1293201 | PDB:5U2M | ||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | No | [30] |
| PDB Sequence |
FNILLATDSY
18 KVTHYKQYPP28 NTSKVYSYFE38 CREYEETVFY60 GLQYILNKYL70 KGKVVTKEKI 80 QEAKDVYKEH90 FQDDVFNEKG100 WNYILEKYDG110 HLPIEIKAVP120 EGFVIPRGNV 130 LFTVENTDPE140 CYWLTNWIET150 ILVQSWYPIT160 VATNSREQKK170 ILAKYLLETS 180 GNLDGLEYKL190 HDFGYRGVSS200 QETAGIGASA210 HLVNFKGTDT220 VAGLALIKKY 230 YGTKDPVPGY240 SVPAAEHSTI250 TAWGKDHEKD260 AFEHIVTQFS270 SVPVSVVSDS 280 YDIYNACEKI290 WGEDLRHLIV300 SRSTQAPLII310 RPDSGNPLDT320 VLKVLEILGK 330 KFPVTENSKG340 YKLLPPYLRV350 IQGDGVDINT360 LQEIVEGMKQ370 KMWSIENIAF 380 GSGGGLLQKL390 TRDLLNCSFK400 CSYVVTNGLG410 INVFKDPVAD420 PNKRSKKGRL 430 SLHRTPAGNF440 VTLEEGKGDL450 EEYGQDLLHT460 VFKNGKVTKS470 YSFDEIRKNA 480 QLNI
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7T7 or .7T72 or .7T73 or :37T7;style chemicals stick;color identity;select .A:188 or .A:191 or .A:192 or .A:193 or .A:196 or .A:219 or .A:241 or .A:242 or .A:244 or .A:245 or .A:273 or .A:275 or .A:307 or .A:309 or .A:311 or .A:350 or .A:351 or .A:379; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure and reaction mechanism of human nicotinamide phosphoribosyltransferase. J Biochem. 2010 Jan;147(1):95-107. | ||||
| REF 2 | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg Med Chem Lett. 2013 Oct 15;23(20):5488-97. | ||||
| REF 3 | Identification of structural determinants of NAMPT activity and substrate selectivity | ||||
| REF 4 | Structural basis for resistance to diverse classes of NAMPT inhibitors. PLoS One. 2014 Oct 6;9(10):e109366. | ||||
| REF 5 | Structural and biochemical analyses of the catalysis and potency impact of inhibitor phosphoribosylation by human nicotinamide phosphoribosyltransferase. Chembiochem. 2014 May 26;15(8):1121-30. | ||||
| REF 6 | Target identification of small molecules using large-scale CRISPR-Cas mutagenesis scanning of essential genes. Nat Commun. 2018 Feb 5;9(1):502. | ||||
| REF 7 | CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782-RP | ||||
| REF 8 | A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT. Proc Natl Acad Sci U S A. 2009 Aug 18;106(33):13748-53. | ||||
| REF 9 | Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg Med Chem Lett. 2014 Feb 1;24(3):954-62. | ||||
| REF 10 | Identification of structural determinants of NAMPT activity and substrate selectivity | ||||
| REF 11 | Minimizing CYP2C9 Inhibition of Exposed-Pyridine NAMPT (Nicotinamide Phosphoribosyltransferase) Inhibitors. J Med Chem. 2016 Sep 22;59(18):8345-68. | ||||
| REF 12 | Fragment-based discovery of a potent NAMPT inhibitor. Bioorg Med Chem Lett. 2018 Feb 1;28(3):437-440. | ||||
| REF 13 | Molecular basis for the inhibition of human NMPRTase, a novel target for anticancer agents. Nat Struct Mol Biol. 2006 Jul;13(7):582-8. | ||||
| REF 14 | A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy. Bioconjug Chem. 2022 Jun 15;33(6):1210-1221. | ||||
| REF 15 | Identification of structural determinants of NAMPT activity and substrate selectivity | ||||
| REF 16 | CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782. | ||||
| REF 17 | Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors | ||||
| REF 18 | Discovery of small-molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and their preclinical neuroprotective activity. Cell Res. 2022 Jun;32(6):570-584. | ||||
| REF 19 | SAR and characterization of non-substrate isoindoline urea inhibitors of nicotinamide phosphoribosyltransferase (NAMPT). Bioorg Med Chem Lett. 2017 Aug 1;27(15):3317-3325. | ||||
| REF 20 | Scaffold Morphing Identifies 3-Pyridyl Azetidine Ureas as Inhibitors of Nicotinamide Phosphoribosyltransferase (NAMPT). ACS Med Chem Lett. 2019 Oct 10;10(11):1524-1529. | ||||
| REF 21 | Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (Nampt) inhibitors. J Med Chem. 2013 Jun 27;56(12):4921-37. | ||||
| REF 22 | Discovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors. Bioorg Med Chem Lett. 2014 Jan 1;24(1):337-43. | ||||
| REF 23 | Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent inhibition and improved aqueous solubility. Bioorg Med Chem Lett. 2015 Feb 1;25(3):529-41. | ||||
| REF 24 | Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived ureas as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg Med Chem Lett. 2013 Sep 1;23(17):4875-85. | ||||
| REF 25 | Discovery of potent and efficacious urea-containing nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with reduced CYP2C9 inhibition properties. Bioorg Med Chem Lett. 2013 Jun 15;23(12):3531-8. | ||||
| REF 26 | Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors | ||||
| REF 27 | Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors | ||||
| REF 28 | Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors | ||||
| REF 29 | NAMPT co-crystal with inhibitor compound 2 | ||||
| REF 30 | Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors. Mol Cancer Ther. 2017 Jul;16(7):1236-1245. | ||||
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