Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-[(3S,6S,9S,15R,21S,24S,27S)-3,21-dibenzyl-6-[3-(diaminomethylideneamino)propyl]-24-methyl-2,5,8,14,20,23,26,29-octaoxo-1,4,7,13,19,22,25,28-octazapentacyclo[28.8.0.09,13.015,19.032,37]octatriaconta-32,34,36-trien-27-yl]acetamide
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 PubChem ID
CID: 122178160
Canonical SMILES
C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)C2Cc3ccccc3CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
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Compound Formula C51H64N12O9
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
Q01727
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
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 3900 nM
   TI
   LI
   LO
   TS