Brief Information of the Compound and Protein
Compound Name
 Compound Info 
1-[3-[(1R,4S,7S,10S,13S,16R,19S,22S,25R,28S,31S,34S,37R,40S)-16,37-dibenzyl-4-[(2S)-butan-2-yl]-13-(3-carbamimidamidopropyl)-22-[(1R)-1-hydroxyethyl]-19,40-bis(1H-imidazol-4-ylmethyl)-10,31-bis(1H-indol-3-ylmethyl)-7,14,28-trimethyl-3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaoxo-44,45-dithia-2,5,8,11,14,17,20,23,26,29,32,35,38,41-tetradecazabicyclo[23.17.4]hexatetracontan-34-yl]propyl]guanidine
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 PubChem ID
CID: 166632393
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](C)C(=O)N2
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Compound Formula C87H114N26O15S2
Compound Structure
Protein Name
 Protein Info 
Melanocyte-stimulating hormone 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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Melanocortin receptor
Uniprot ID
Q01726
Gene Name
MC1R
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000058 T-REx-293
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 0.0912 nM
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