Brief Information of the Compound and Protein
Compound Name
N-[(1S)-3-[(1R,5S)-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]-3-(methylsulfamoyl)benzamide
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Canonical SMILES
CNS(=O)(=O)c1cccc(c1)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 C28H38N6O3S2
Compound Structure
Protein Name
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
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 Homo sapiens (Human)  1
1
IC50 = 31.89 nM
   TI
   LI
   LO
   TS