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 | N-(4-{[3-(Trifluoromethyl)phenyl]sulfonyl}benzyl)-2h-Pyrazolo[3,4-B]pyridine-5-Carboxamide | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC(=C1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3=CN=C4C(=C3)C=NN4)C(F)(F)F | ||||
| InChI | 1S/C21H15F3N4O3S/c22-21(23,24)16-2-1-3-18(9-16)32(30,31)17-6-4-13(5-7-17)10-26-20(29)15-8-14-12-27-28-19(14)25-11-15/h1-9,11-12H,10H2,(H,26,29)(H,25,27,28) | ||||
| InChIKey | LKBHAGGICJWHQQ-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 66613669 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4O13 The crystal structure of NAMPT in complex with GNE-618 | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [1] |
| 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
|
|||||
|
|
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
|
|||||
| PDB ID: 4O15 The crystal structure of a mutant NAMPT (S165F) in complex with GNE-618 | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [1] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREKKKYEE56 TVFYGLQYIL66 NKYLKGKVVT 76 KEKIQEAKDV86 YKEHFQDDVF96 NEKGWNYILE106 KYDGHLPIEI116 KAVPEGFVIP 126 RGNVLFTVEN136 TDPECYWLTN146 WIETILVQSW156 YPITVATNFR166 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 NIAFGSKLTR392 DLLNCSFKCS402 YVVTNGLGIN412 VFKDPVADPN422 KRSKKGRLSL 432 HRTPAGNFVT442 LEEGKGDLEE452 YGQDLLHTVF462 KNGKVTKSYS472 FDEIRKNAQL 482 NIELE
|
|||||
|
|
TYR188
3.132
HIS191
3.139
PHE193
3.371
ARG196
3.108
LYS216
4.466
GLY217
3.348
THR218
4.726
ASP219
2.974
TYR240
3.394
SER241
3.096
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis for resistance to diverse classes of NAMPT inhibitors. PLoS One. 2014 Oct 6;9(10):e109366. | ||||
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