Target Binding Site Detail
| 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 | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Daporinad | Ligand Info | |||
| Canonical SMILES | C1CN(CCC1CCCCNC(=O)C=CC2=CN=CC=C2)C(=O)C3=CC=CC=C3 | ||||
| InChI | 1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+ | ||||
| InChIKey | KPBNHDGDUADAGP-VAWYXSNFSA-N | ||||
| PubChem Compound ID | 6914657 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2GVJ Crystal Structure of Human NMPRTase in complex with FK866 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [1] |
| 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
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TYR188
3.809
LYS189
3.420
HIS191
3.664
PHE193
3.157
ARG196
3.246
ASP219
3.274
SER241
4.647
VAL242
3.556
PRO243
4.902
ALA244
3.502
PRO273
4.485
|
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| PDB ID: 4O1B The crystal structure of a mutant NAMPT (G217R) in complex with an inhibitor APO866 | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [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 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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|
|
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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| PDB ID: 4O1D Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 1.71 Å | Mutation | Yes | [2] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKKYEE56 TVFYGLQYIL66 NKYLKGKVVT 76 KEKIQEAKDV86 YKEHFQDDVF96 NEKGWNYILE106 KYDGHLPIEI116 KAVPEGFVIP 126 RGNVLFTVEN136 TDPECYWLTN146 WIETILVQSW156 YPITVATNSR166 EQKKILAKYL 176 LETSGNLDGL186 EYKLRDFGYR196 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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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | 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 2 | Structural basis for resistance to diverse classes of NAMPT inhibitors. PLoS One. 2014 Oct 6;9(10):e109366. | ||||
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