Brief Information of the Compound and Protein
Compound Name
 Compound Info 
((3S,4S)-3-{4-[Allyl-(5-trifluoromethyl-pyridin-2-yl)-amino]-piperidin-1-ylmethyl}-4-phenyl-pyrrolidin-1-yl)-cyclohexyl-methanone
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 PubChem ID
CID: 44356876
Canonical SMILES
FC(F)(F)c1ccc(nc1)N(CC=C)C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1
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Compound Formula C32H41F3N4O
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 = 21 nM
   TI
   LI
   LO
   TS
CL000393 HeLa-MAGI
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 37 nM
   TI
   LI
   LO
   TS