Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(S)-(-)-9-{4-[2-(butoxy)ethoxy]phenyl}-1-isobutyl-N-(4-{[(1-propyl-1H-imidazol-5-yl)methyl]sulfinyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazonine-6-carboxamide
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 PubChem ID
CID: 11700429
SID: 16804892
Canonical SMILES
CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCCN3CC(C)C)cc1
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Compound Formula C42H54N4O4S
Compound Structure
Protein Name
 Protein Info 
C-C chemokine receptor type 5
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Chemokine receptor
>
CC chemokine receptor
Uniprot ID
P51681
Gene Name
CCR5
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 6.8 nM
   TI
   LI
   LO
   TS
CL000053 COS-7
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  1
1
IC50 = 0.48 nM
   TI
   LI
   LO
   TS
CL001058 MOLT-4/CCR5
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 2.1 nM
   TI
   LI
   LO
   TS