Brief Information of the Compound and Protein
Compound Name
(3S)-N-[(5S)-5-amino-6-(2,2-diphenylethylamino)-6-oxohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;2,2,2-trifluoroacetic acid
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PubChem ID
CID: 127032168
Canonical SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCC(c1ccccc1)c1ccccc1
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Compound Formula C34H38F6N4O6
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
CL000025 HEK-293T Homo sapiens (Human)  3
1
EC50 = 158.49 nM
   TI
   LI
   LO
   TS
2
EC50 = 281.84 nM
   TI
   LI
   LO
   TS
3
EC50 = 2238.72 nM
   TI
   LI
   LO
   TS