Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-[(1R,4S,10S,13S,16S,19S,22S,25S,28R,31S,34S,37S,40S,43S)-13,34-dibenzyl-4-butyl-16,25,37,43-tetrakis(3-guanidinopropyl)-10,31-bis(1H-imidazol-5-ylmethyl)-19,40-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,49-hexadecaoxo-47,51-dithia-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecazabicyclo[26.17.7]dopentacontan-22-yl]acetic acid
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 PubChem ID
CID: 168283616
Canonical SMILES
CCCC[C@@H]1NC(=O)[C@@H]2CSCC(=O)CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)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](CCCNC(=N)N)C(=O)N2
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Compound Formula C97H131N33O18S2
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
CL000154 HEK293-EBNA1-6E
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 0.5495 nM
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