Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4,4-difluoro-N-[(1S)-1-[4-[[2-[2-[7-[[2-[2-(methylamino)-2-oxoethoxy]acetyl]amino]heptylamino]-2-oxoethoxy]acetyl]amino]phenyl]-3-[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
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 PubChem ID
CID: 90666577
Canonical SMILES
CNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)Nc1ccc(cc1)[C@H](CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C)NC(=O)C1CCC(F)(F)CC1
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Compound Formula C45H69F2N9O7
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)
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Chemokine receptor
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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 = 622 nM
   TI
   LI
   LO
   TS