Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S)-6-amino-1-[(2S)-2-{[(1S)-1-carbamoyl-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}methyl)carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]butanoic acid
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 PubChem ID
CID: 44273719
SID: 16336609
Canonical SMILES
CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=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]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
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Compound Formula C77H109N21O19S
Compound Structure
Protein Name
 Protein Info 
Melanocortin receptor 5
Protein Classification
Membrane receptor
>
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
CL000404 BHK570
 Cell Line Info 
Mesocricetus auratus (Golden hamster)  1
1
Ki = 150 nM
   TI
   LI
   LO
   TS
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
EC50 = 17 nM
   TI
   LI
   LO
   TS
2
IC50 = 118 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  5
1
EC50 = 8.1 nM
   TI
   LI
   LO
   TS
2
EC50 = 29 nM
   TI
   LI
   LO
   TS
3
EC50 = 35.3 nM
   TI
   LI
   LO
   TS
4
EC50 = 360 nM
   TI
   LI
   LO
   TS
5
IC50 = 18 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 18 nM
2 IC50 = 557 nM