Brief Information of the Compound and Protein
Compound Name
(2S,5S,8S,11R,14S,23S)-23-amino-8-[3-(diaminomethylideneamino)propyl]-2-(1H-imidazol-5-ylmethyl)-11-(1H-indol-3-ylmethyl)-5-(naphthalen-2-ylmethyl)-3,6,9,12,20,24-hexaoxo-1,4,7,10,13,19-hexazacyclotetracosane-14-carboxamide
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PubChem ID
CID: 44445109
Canonical SMILES
N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
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Compound Formula C47H60N14O7
Compound Structure
Protein Name
Melanocortin receptor 3
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
P41968
Gene Name
MC3R
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
Kd = 0.02512 nM
   TI
   LI
   LO
   TS
2
Ki = 5.9 nM
   TI
   LI
   LO
   TS