Structure of PDB 7slz Chain A Binding Site BS01

Receptor Information
>7slz Chain A (length=159) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSKFRGHQKSKGNSYDVEVVLQHVDTGNSYLCGYLKIKGLTEEYPTLTTF
FEGEIISKKHPFLTRKWDADEDVDRKHWGKFLAFYQYADFDYEELKNGDY
VFMRWKEQFLVPDHTIKDISGASFAGFYYICFQKSAASIEGYYYHRSSEW
YQSLNLTHV
Ligand information
Ligand ID9QU
InChIInChI=1S/C24H27N5O/c30-23(15-25-14-19-13-17-5-1-2-6-20(17)26-19)27-18-11-9-16(10-12-18)24-28-21-7-3-4-8-22(21)29-24/h1-8,13,16,18,25-26H,9-12,14-15H2,(H,27,30)(H,28,29)/t16-,18+
InChIKeyHLHNFJNSQZZUNW-MAEOIBBWSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O=C(CNCc1[nH]c2ccccc2c1)N[C@@H]3CC[C@@H](CC3)c4[nH]c5ccccc5n4
ACDLabs 12.01O=C(CNCc1cc2ccccc2[NH]1)NC1CCC(CC1)c1nc2ccccc2[NH]1
CACTVS 3.385O=C(CNCc1[nH]c2ccccc2c1)N[CH]3CC[CH](CC3)c4[nH]c5ccccc5n4
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cc([nH]2)CNCC(=O)NC3CCC(CC3)c4[nH]c5ccccc5n4
FormulaC24 H27 N5 O
NameN-[(1s,4s)-4-(1H-benzimidazol-2-yl)cyclohexyl]-N~2~-[(1H-indol-2-yl)methyl]glycinamide
ChEMBLCHEMBL5177469
DrugBank
ZINC
PDB chain7slz Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7slz CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH BPF023596
Resolution1.97 Å
Binding residue
(original residue number in PDB)		Q132 T165 L171 E237 I249 S253 Y258 Y273
Binding residue
(residue number reindexed from 1)		Q8 T41 L47 E107 I119 S123 Y128 Y143
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7slz, PDBe:7slz, PDBj:7slz
PDBsum7slz
PubMed
UniProtQ8IVV7|GID4_HUMAN Glucose-induced degradation protein 4 homolog (Gene Name=GID4)

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