Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4,4-difluoro-N-[(1S)-1-[4-[[2-[2-[5-[[2-[2-(methylamino)-2-oxoethoxy]acetyl]amino]pentylamino]-2-oxoethoxy]acetyl]amino]phenyl]-3-[(1S,5R)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexane-1-carboxamide
    Show/Hide
Canonical SMILES
CNC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)Nc1ccc(cc1)[C@H](CCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nnc1C(C)C)NC(=O)C1CCC(F)(F)CC1
    Show/Hide
Compound Formula C43H65F2N9O7
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
CL000116 MOLT-4
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 948 nM
   TI
   LI
   LO
   TS