Brief Information of the Compound and Protein
Compound Name
 Compound Info 
methyl 3-[1-cyclohexyl-3-[1-[4-[(4,6-dimethylpyrimidine-5-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxoimidazolidin-4-yl]benzoate
    Show/Hide
 PubChem ID
CID: 72711050
Canonical SMILES
COC(=O)c1cccc(c1)C1CN(C2CCCCC2)C(=O)N1C1CCN(CC1)C(C)CCNC(=O)c1c(C)ncnc1C
    Show/Hide
Compound Formula C33H46N6O4
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 = 346.5 nM
   TI
   LI
   LO
   TS
CL000131 HEK293-F
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 157.6 nM
   TI
   LI
   LO
   TS
2
IC50 = 175.8 nM
   TI
   LI
   LO
   TS