Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3R,6S,9S,12R,15S)-12-benzyl-9-(3-carbamimidamidopropyl)-15-(1H-imidazol-5-ylmethyl)-6-(1H-indol-3-ylmethyl)-19-nitro-5,8,11,14,17-pentaoxo-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1,4,7,10,13,16-benzothiapentazacyclononadecine-3-carboxamide
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 PubChem ID
CID: 44577510
SID: 50089282
Canonical SMILES
N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
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Compound Formula C42H47N13O8S
Compound Structure
Protein Name
 Protein Info 
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
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 44 nM
   TI
   LI
   LO
   TS
2
IC50 = 190 nM
   TI
   LI
   LO
   TS