Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2,2',2''-(10-(2-((R)-1-((S)-1-((S)-1-((S)-2-((S)-1-(((S)-1-((S)-1-((S)-1-amino-3-(naphthalen-1-yl)-1-oxopropan-2-ylamino)-3-carboxy-1-oxopropan-2-ylamino)-1-oxohexan-2-yl)(methyl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-ylcarbamoyl)pyrrolidin-1-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-ylamino)-1-oxopropan-2-ylamino)-4-carboxy-1-oxobutan-2-ylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
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Canonical SMILES
CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=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
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Compound Formula C73H96N14O20
Compound Structure
Protein Name
 Protein Info 
Gastrin/cholecystokinin type B receptor
Protein Classification
Membrane receptor
>
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)  2
1
EC50 = 12.38 nM
   TI
   LI
   LO
   TS
2
IC50 = 1.3 nM
   TI
   LI
   LO
   TS