Brief Information of the Compound and Protein
Compound Name
4,6-dimethyl-N-[(3R)-3-[4-[N-[(4-methylpyridin-3-yl)methyl]-4-methylsulfinylanilino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide
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PubChem ID
CID: 57395818
Canonical SMILES
C[C@H](CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N(Cc1cnccc1C)c1ccc(cc1)S(C)=O
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Compound Formula C30H40N6O2S
Compound Structure
Protein Name
C-C chemokine receptor type 5
Protein Classification
Membrane receptor
>
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
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 130 nM
   TI
   LI
   LO
   TS