Brief Information of the Compound and Protein
Compound Name
 Compound Info 
1-butyl-1-[1-[2-[1-[5-(tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl]-4-(3-fluorophenyl)piperidin-4-yl]ethyl]piperidin-4-yl]-3-[(4-cyanophenyl)methyl]urea
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 PubChem ID
CID: 52948296
Canonical SMILES
CCCCN(C1CCN(CCC2(CCN(CC2)C(=O)c2cc(c(F)cc2Cl)S(=O)(=O)NC(C)(C)C)c2cccc(F)c2)CC1)C(=O)NCc1ccc(cc1)C#N
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Compound Formula C42H53ClF2N6O4S
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
CL000149 HOS
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 2.6 nM
   TI
   LI
   LO
   TS