Brief Information of the Compound and Protein
Compound Name
N-[2-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
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PubChem ID
CID: 16728788
Canonical SMILES
CN1CCN(Cc2ccc(NC(=O)CSc3nnc(C)n3-c3ccccc3)c(C)c2)CC1
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Compound Formula C24H30N6OS
Compound Structure
Protein Name
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
EC50 = 2000 nM
   TI
   LI
   LO
   TS
2
IC50 = 14100 nM
   TI
   LI
   LO
   TS