Brief Information of the Compound and Protein
Compound Name
 Compound Info 
7-(4-(2-butoxyethoxy)phenyl)-1-isobutyl-N-(4-((1-propyl-1H-imidazol-5-yl)methylsulfinyl)phenyl)-2,3-dihydro-1H-benzo[b]azepine-4-carboxamide
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 PubChem ID
CID: 3013575
SID: 15137723
Canonical SMILES
CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1cncn1CCC
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Compound Formula C40H50N4O4S
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 = 1.9 nM
   TI
   LI
   LO
   TS
CL000053 COS-7
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  1
1
IC50 = 1 nM
   TI
   LI
   LO
   TS
CL001058 MOLT-4/CCR5
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 5.3 nM
   TI
   LI
   LO
   TS