Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3S,6S,9S,15S,18S,21R)-9-((1H-indol-3-yl)methyl)-3-((S)-1-amino-1-oxo-3-phenylpropan-2-ylcarbamoyl)-15-(4-hydroxybenzyl)-18-methyl-6-(2-(methylthio)ethyl)-5,8,11,14,17,20-hexaoxo-21-(2-(4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl)acetamido)-4,7,10,13,16,19-hexaazatetracosane-1,24-dioic acid
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Canonical SMILES
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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Compound Formula C64H86N14O20S
Compound Structure
Protein Name
 Protein Info 
Gastrin/cholecystokinin type B receptor
Protein Classification
Membrane receptor
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Family A G protein-coupled receptor
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Peptide receptor (family A GPCR)
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Short peptide receptor (family A GPCR)
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Cholecystokinin receptor
Uniprot ID
P32239
Gene Name
CCKBR
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 = 0.9 nM
   TI
   LI
   LO
   TS