Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(2S,5S,8S)-11-[2-(benzylamino)ethyl]-8-(carboxymethyl)-2-(1H-indol-3-ylmethyl)-5-[2-(methylsulfanyl)ethyl]-3,6,9,12,15,19-hexaoxo-1,4,7,10,13,16-hexaazacyclononadecan-18-yl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-[4-(sulfooxy)phenyl]ethyl]carbamoyl}propanoic acid
    Show/Hide
 PubChem ID
CID: 73353218
Canonical SMILES
CSCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2ccc(OS(=O)(=O)O)cc2)NC(=O)[C@@H](N)CC(=O)O)CNC(=O)CNC(=O)[C@H](CCNCc2ccccc2)NC(=O)[C@H](CC(=O)O)NC1=O
    Show/Hide
Compound Formula C54H70N12O17S3
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)
>
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
CL000052 A-431
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 6940 nM
   TI
   LI
   LO
   TS