Brief Information of the Compound and Protein
Compound Name
(3R,6R,14R,17S,20S,23S,26R)-6-[[(2S)-2-acetamidohexanoyl]amino]-20-[3-(diaminomethylideneamino)propyl]-3,17-bis(1H-indol-3-ylmethyl)-23-(naphthalen-2-ylmethyl)-2,5,8,16,19,22,25-heptaoxo-1,4,9,15,18,21,24-heptazabicyclo[24.3.0]nonacosane-14-carboxamide
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PubChem ID
CID: 145948876
Canonical SMILES
CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
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Compound Formula C64H81N15O10
Compound Structure
Protein Name
Melanocortin receptor 5
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
P33032
Gene Name
MC5R
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 20 nM
   TI
   LI
   LO
   TS
2
IC50 = 580 nM
   TI
   LI
   LO
   TS