Structure of PDB 6v4t Chain B Binding Site BS01

Receptor Information
>6v4t Chain B (length=51) Species: 11676 (Human immunodeficiency virus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LLELDKWASLWNWFDITNWLWYIRIFIIIVGSLIGLRIVFAVLSLVNRVR
Q
Ligand information
Ligand IDQOJ
InChIInChI=1S/C34H42N4/c35-33-25-15-7-9-19-29(25)37(31-21-13-17-27(31)33)23-11-5-3-1-2-4-6-12-24-38-30-20-10-8-16-26(30)34(36)28-18-14-22-32(28)38/h7-10,15-16,19-20,35-36H,1-6,11-14,17-18,21-24H2/p+2
InChIKeyMEFIQYBUDHNVHT-UHFFFAOYSA-P
SMILES
SoftwareSMILES
CACTVS 3.385Nc1c2CCCc2[n+](CCCCCCCCCC[n+]3c4CCCc4c(N)c5ccccc35)c6ccccc16
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c(c3c([n+]2CCCCCCCCCC[n+]4c5ccccc5c(c6c4CCC6)N)CCC3)N
ACDLabs 12.01Nc1c2ccccc2[n+](CCCCCCCCCC[n+]2c3ccccc3c(N)c3CCCc23)c2CCCc12
FormulaC34 H44 N4
Name4,4'-(decane-1,10-diyl)bis(9-amino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium)
ChEMBL
DrugBank
ZINC
PDB chain6v4t Chain B Residue 801 [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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PDB6v4t HIV-1 fusion inhibitors targeting the membrane-proximal external region of Env spikes.
ResolutionN/A
Binding residue
(original residue number in PDB)		L669 W672
Binding residue
(residue number reindexed from 1)		L10 W13
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:6v4t, PDBe:6v4t, PDBj:6v4t
PDBsum6v4t
PubMed32152540
UniProtQ74849

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