Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(4S)-4-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-1-hydroxy-2-[[(2S)-1-hydroxy-2-[[(2S)-1-hydroxy-2-[[hydroxy-[(2S)-1-[2-[[hydroxy-[(2S)-5-hydroxy-3,4-dihydro-2H-pyrrol-2-yl]methylidene]amino]acetyl]pyrrolidin-2-yl]methylidene]amino]-3-(1H-indol-3-yl)propylidene]amino]-4-methylpentylidene]amino]butylidene]amino]-1-hydroxybutylidene]amino]-1-hydroxybutylidene]amino]-1-hydroxybutylidene]amino]-5-[(2S)-1-[(2S)-1-[2-[(2S)-1-[(2S)-1-[(2S)-3-carboxy-1-hydroxy-1-[(2S)-1-hydroxy-1-imino-3-phenylpropan-2-yl]iminopropan-2-yl]imino-1-hydroxy-4-methylsulfanylbutan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxypropan-2-yl]imino-5-hydroxypentanoic acid
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 PubChem ID
CID: 101823779
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)[C@H](CCC(O)=O)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](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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Compound Formula C97H124N20O31S
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
CL000094 1321N1
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 0.4571 nM
   TI
   LI
   LO
   TS
2
IC50 = 4.074 nM
   TI
   LI
   LO
   TS