Brief Information of the Compound and Protein
Compound Name
tert-butyl N-[(2S)-1-(2,2-diphenylethylamino)-1-oxo-6-[[(3S)-2-(3-phenylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexan-2-yl]carbamate
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PubChem ID
CID: 127032455
Canonical SMILES
CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1
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Compound Formula C44H52N4O5
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 = 61.66 nM
   TI
   LI
   LO
   TS
2
EC50 = 194.98 nM
   TI
   LI
   LO
   TS
3
EC50 = 8511.38 nM
   TI
   LI
   LO
   TS