Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-[3-[(3R,9S,12S,15S,18S,21S,24S,27S)-15-(aminomethyl)-9,18,21-tribenzyl-2,8,11,14,17,20,23,26-octaoxo-12-propan-2-yl-1,7,10,13,16,19,22,25-octazatricyclo[25.3.0.03,7]triacontan-24-yl]propyl]guanidine
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 PubChem ID
CID: 155544852
Canonical SMILES
CC(C)[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=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 C51H68N12O8
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
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
 Cell Line Info 
Homo sapiens (Human)  3
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS
2
IC50 = 2700 nM
   TI
   LI
   LO
   TS
3
Kd = 501.19 nM
   TI
   LI
   LO
   TS