Brief Information of the Compound and Protein
Compound Name
(3S)-N-[(2S)-6-amino-1-(2,2-diphenylethylamino)-1-oxohexan-2-yl]-2-(4-oxo-4-phenylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
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PubChem ID
CID: 71457439
Canonical SMILES
NCCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1
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Compound Formula C40H44N4O4
Compound Structure
Protein Name
C-X-C chemokine receptor type 3
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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CXC chemokine receptor
Uniprot ID
P49682
Gene Name
CXCR3
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)  2
1
EC50 = 630.96 nM
   TI
   LI
   LO
   TS
2
Ki = 39.81 nM
   TI
   LI
   LO
   TS