Structure of PDB 6x5c Chain G Binding Site BS02

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 G Residue 800 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		F518 F522 L537 Y586 I602
Binding residue
(residue number reindexed from 1)		F7 F11 L26 Y75 I91
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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