Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3S)-3-[[(2S)-2-[[(2S)-2-[[[(1R,4S,7S,10S,13S,16S,19S,22S,25R,28S,31R,36R,39S,42S,45S)-31-amino-7-(4-aminobutyl)-39-benzyl-4-(2-carboxyethyl)-10-(carboxymethyl)-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecahydroxy-19,22,28-tris(hydroxymethyl)-42-[(4-hydroxyphenyl)methyl]-16-(2-methylpropyl)-13-(2-methylsulfanylethyl)-45-propan-2-yl-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecazabicyclo[23.22.4]henpentaconta-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecaen-36-yl]-hydroxymethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-4-[(2S,3S)-1-[(2S,3S)-1-[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]imino-1-hydroxy-3-methylpentan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-4-hydroxybutanoic acid
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 PubChem ID
CID: 16212950
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC2=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
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Compound Formula C109H159N25O32S5
Compound Structure
Protein Name
 Protein Info 
Endothelin-1 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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Endothelin receptor
Uniprot ID
P25101
Gene Name
EDNRA
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 0.023 nM
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