Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3S)-3-[(2S)-2-[(2R)-2-amino-3-(1H-indol-2-yl)propanamido]hexanamido]-3-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanehydrazido]-1-oxo-3-phenylpropan-2-yl]carbamoyl}propanoic acid
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 PubChem ID
CID: 44418924
Canonical SMILES
CCCC[C@H](NC(=O)[C@H](N)Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
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Compound Formula C53H65N11O11
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
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  4
1
EC50 = 4.6 nM
   TI
   LI
   LO
   TS
2
IC50 = 4.571 nM
   TI
   LI
   LO
   TS
3
IC50 = 9332.54 nM
   TI
   LI
   LO
   TS
4
Ki = 9300 nM
   TI
   LI
   LO
   TS