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 | 6-({4-[(3,5-Difluorophenyl)sulfonyl]benzyl}carbamoyl)-1-(5-O-Phosphono-Beta-D-Ribofuranosyl)imidazo[1,2-A]pyridin-1-Ium | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC=C1CNC(=O)C2=CN3C=C[N+](=C3C=C2)C4C(C(C(O4)COP(=O)(O)O)O)O)S(=O)(=O)C5=CC(=CC(=C5)F)F | ||||
| InChI | 1S/C26H24F2N3O10PS/c27-17-9-18(28)11-20(10-17)43(38,39)19-4-1-15(2-5-19)12-29-25(34)16-3-6-22-30(13-16)7-8-31(22)26-24(33)23(32)21(41-26)14-40-42(35,36)37/h1-11,13,21,23-24,26,32-33H,12,14H2,(H2-,29,34,35,36,37)/p+1/t21-,23-,24-,26-/m1/s1 | ||||
| InChIKey | ZYTGSQWLYZVDKX-IGGXFAESSA-O | ||||
| PubChem Compound ID | 74331704 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4O16 Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | Yes | [1] |
| 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
|
|||||
|
|
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
|
|||||
| PDB ID: 4L4L Structural Analysis of a Phosphoribosylated Inhibitor in Complex with Human Nicotinamide Phosphoribosyltransferase | ||||||
| Method | X-ray diffraction | Resolution | 2.12 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
|
|||||
|
|
TYR188
3.384
HIS191
3.257
PHE193
3.286
ARG196
3.024
GLY197
4.480
GLY217
4.800
ASP219
2.942
TYR240
4.197
SER241
3.525
VAL242
3.354
PRO243
4.508
ALA244
3.128
ALA245
4.885
PRO273
3.679
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis for resistance to diverse classes of NAMPT inhibitors. PLoS One. 2014 Oct 6;9(10):e109366. | ||||
| REF 2 | 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. | ||||
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