Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S,5S,8S,14S,35S,38S,41S,44S,47S,50S,53S,56S,59S,62S,65S,68S,71S,74S,77S,80S,83S,86S,89S,92S,95S,98S,101S,104S,110S)-8,44-bis((1H-indol-3-yl)methyl)-2-((S)-1-amino-1-oxo-3-phenylpropan-2-ylcarbamoyl)-35-(2-amino-2-oxoethyl)-110-(2-((S)-2-amino-3-(1H-imidazol-5-yl)propanamido)acetamido)-80-(3-amino-3-oxopropyl)-38,83-bis(4-aminobutyl)-53,101-dibenzyl-50-sec-butyl-47,68,71,74-tetrakis(2-carboxyethyl)-92-(carboxymethyl)-59-(3-guanidinopropyl)-14-(4-hydroxybenzyl)-98,104-bis((R)-1-hydroxyethyl)-86,95-bis(hydroxymethyl)-5,41,56,89-tetraisobutyl-62-isopropyl-65-methyl-77-(2-(methylthio)ethyl)-4,7,10,13,16,25,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94,97,100,103,106,109-dotriacontaoxo-18,21,27,30-tetraoxa-3,6,9,12,15,24,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99,102,105,108-dotriacontaazadodecahectane-1,112-dicarboxylic acid
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 PubChem ID
CID: 86291008
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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Compound Formula C199H294N48O61S
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)  1
1
EC50 = 9.9 nM
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