Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4,4-difluoro-N-[(1S)-3-[(1S,5R)-3-[3-[2-[[2-[2-[7-[[2-[2-(methylamino)-2-oxoethoxy]acetyl]amino]heptylamino]-2-oxoethoxy]acetyl]amino]ethyl]-5-propan-2-yl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide
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Canonical SMILES
CNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)NCCc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1
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Compound Formula C46H71F2N9O7
Compound Structure
Protein Name
 Protein Info 
C-C chemokine receptor type 5
Protein Classification
Membrane receptor
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Family A G protein-coupled receptor
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Peptide receptor (family A GPCR)
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Chemokine receptor
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CC chemokine receptor
Uniprot ID
P61813
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
CL000064 Chem-1
 Cell Line Info 
Rattus norvegicus (Rat)  1
1
Ki = 41 nM
   TI
   LI
   LO
   TS