Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3S,6R,9S,12S,15S,18S)-3-((1H-imidazol-5-yl)methyl)-12-((1H-indol-3-yl)methyl)-18-((S)-1-amino-1-oxo-3-phenylpropan-2-ylcarbamoyl)-1-((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl)-1,2,3,4-tetrahydroisoquinolin-3-yl)-15-butyl-9-(3-guanidinopropyl)-6-(naphthalen-2-ylmethyl)-1,4,7,10,13,16-hexaoxo-2,5,8,11,14,17-hexaazaicosan-20-oic acid
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 PubChem ID
CID: 91933500
Canonical SMILES
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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Compound Formula C76H90N16O12
Compound Structure
Protein Name
 Protein Info 
Cholecystokinin receptor type A
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Short peptide receptor (family A GPCR)
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Cholecystokinin receptor
Uniprot ID
P32238
Gene Name
CCKAR
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 31.62 nM
   TI
   LI
   LO
   TS
2
Ki = 32 nM
   TI
   LI
   LO
   TS