Structure of PDB 9eyv Chain A Binding Site BS01 |
| >9eyv Chain A (length=625) Species: 9606 (Homo sapiens)
[Search protein sequence]
[Download receptor structure]
[Download structure with residue number starting from 1]
[View receptor structure]
|
RVSSGRDLNCVPEIADTLGAVAKQGFDFLCMPVFHPRFKREFIQEPAKNR
PGPQTRSDLLLSGRDWNTLIVGKLSPWIRPDSKVEKIRRNSEAAMLQELN
FGAYLGLPAFLLPLNQEDNTNLARVLTNHIHTGHHSSMFWMRVPLVAPED
LRDDIIENAPTTHTEEYSGEEKTWMWWHNFRTLCDYSKRIAVALEIGADL
PSNHVIDRWLGEPIKAAILPTSIFLTNKKGFPVLSKMHQRLIFRLLKLEV
QFIITGTNHHSEKEFCSYLQYLEYLSQNRPPPNAYELFAKGYEDYLQSPL
QPLMDNLESQTYEVFEKDPIKYSQYQQAIYKCLLDRVPEEEKDTNVQVLM
VLGAGRGPLVNASLRAAKQADRRIKLYAVEKNPNAVVTLENWQFEEWGSQ
VTVVSSDMREWVAPEKADIIVSELLGSFADNELSPECLDGAQHFLKDDGV
SIPGEYTSFLAPISSSKLYNEVRACREKDRDPEAQFEMPYVVRLHNFHQL
SAPQPCFTFSHPNRDPMIDNNRYCTLEFPVEVNTVLHGFAGYFETVLYQD
ITLSIRPETHSPGMFSWFPILFPIKQPITVREGQTICVRFWRCSNSKKVW
YEWAVTAPVCSAIHNPTGRSYTIGL |
|
|
| Ligand ID | A1H76 |
| InChI | InChI=1S/C24H19FN4O2/c25-16-9-7-15(8-10-16)13-27-23(30)22-18-4-1-2-5-19(18)24(31)29(22)14-17-12-21-20(28-17)6-3-11-26-21/h1-12,22,28H,13-14H2,(H,27,30)/t22-/m0/s1 |
| InChIKey | YXPLZOYUGUVWOT-QFIPXVFZSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)C(N(C2=O)Cc3cc4c([nH]3)cccn4)C(=O)NCc5ccc(cc5)F | | OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)[C@H](N(C2=O)Cc3cc4c([nH]3)cccn4)C(=O)NCc5ccc(cc5)F | | CACTVS 3.385 | Fc1ccc(CNC(=O)[C@H]2N(Cc3[nH]c4cccnc4c3)C(=O)c5ccccc25)cc1 | | CACTVS 3.385 | Fc1ccc(CNC(=O)[CH]2N(Cc3[nH]c4cccnc4c3)C(=O)c5ccccc25)cc1 |
|
| Formula | C24 H19 F N4 O2 |
| Name | (1~{S})-~{N}-[(4-fluorophenyl)methyl]-3-oxidanylidene-2-(1~{H}-pyrrolo[3,2-b]pyridin-2-ylmethyl)-1~{H}-isoindole-1-carboxamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 9eyv Chain A Residue 701
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
|
|
