Structure of PDB 6x5c Chain G Binding Site BS01

Receptor Information
>6x5c Chain G (length=148) Species: 11676 (Human immunodeficiency virus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVGLGAFILGFLGAAGSTMGAASMALTVQARLLLSGIVQQQNNLLRAPEA
QQHMLQLTVWGIKQLQARVLAVERYLRDQQLLGIWGCSGKIICCTNVPWN
DSWSNKTINEIWDNMTWMQWEKEIDNYTQHIYTLLEVSQIQQEKNEQE
Ligand information
Ligand IDUOV
InChIInChI=1S/C21H24N2O2/c1-16-2-4-17(5-3-16)18-6-8-19(9-7-18)22-20(24)23-13-10-21(11-14-23)12-15-25-21/h2-9H,10-15H2,1H3,(H,22,24)
InChIKeyWYXWIBFERBQYBG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1ccc(cc1)c2ccc(NC(=O)N3CCC4(CCO4)CC3)cc2
ACDLabs 12.01C1N(CCC2(C1)CCO2)C(=O)Nc4ccc(c3ccc(C)cc3)cc4
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)c2ccc(cc2)NC(=O)N3CCC4(CC3)CCO4
FormulaC21 H24 N2 O2
NameN-(4'-methyl[1,1'-biphenyl]-4-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide
ChEMBL
DrugBank
ZINCZINC000097681845
PDB chain6x5c Chain B Residue 800 [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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PDB6x5c A Strain-Specific Inhibitor of Receptor-Bound HIV-1 Targets a Pocket near the Fusion Peptide.
Resolution4.04 Å
Binding residue
(original residue number in PDB)		E584 R588 Q591
Binding residue
(residue number reindexed from 1)		E73 R77 Q80
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005198 structural molecule activity

View graph for
Molecular Function
External links
PDB RCSB:6x5c, PDBe:6x5c, PDBj:6x5c
PDBsum6x5c
PubMed33238117
UniProtB3UEZ6

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