Brief Information of the Compound and Protein
Compound Name
(4R,7S,10S,13S,16S,19S,22R,25S,28R)-25-((1H-imidazol-4-yl)methyl)-16-((1H-indol-3-yl)methyl)-13-(2-amino-2-oxoethyl)-N-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-28-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-7,22-dibenzyl-19-(3-guanidinopropyl)-10-methyl-6,9,12,15,18,21,24,27-octaoxo-1,2-dithia-5,8,11,14,17,20,23,26-octaazacyclononacosane-4-carboxamide
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PubChem ID
CID: 53318977
Canonical SMILES
C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
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Compound Formula C72H87N19O14S2
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
P41149
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 = 1.45 nM
   TI
   LI
   LO
   TS
2
EC50 = 2.3 nM
   TI
   LI
   LO
   TS