Brief Information of the Compound and Protein
Compound Name
 Compound Info 
methyl 4-[[(1S)-3-[(1S,5R)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-thiophen-2-ylpropyl]carbamoyl]cyclohexane-1-carboxylate
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Canonical SMILES
COC(=O)C1CCC(CC1)C(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](C2)n1c(C)nnc1C(C)C)c1cccs1
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Compound Formula C29H43N5O3S
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
>
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
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 11.76 nM
   TI
   LI
   LO
   TS