Brief Information of the Compound and Protein
Compound Name
(1S,4S,7S,10S,13S,16S,19S,22R,25S,28R,33R,36S)-28-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]-N-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-10-(2-amino-2-oxoethyl)-4,13,16-tribenzyl-19-(3-carbamimidamidopropyl)-25,36-bis[(4-hydroxyphenyl)methyl]-7-methyl-3,6,9,12,15,18,21,24,27,35,38-undecaoxo-30,31,40,41-tetrathia-2,5,8,11,14,17,20,23,26,34,37-undecazabicyclo[20.16.4]dotetracontane-33-carboxamide
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PubChem ID
CID: 122178148
Canonical SMILES
C[C@@H](O)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
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Compound Formula C82H108N22O19S4
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
P33033
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 = 630.96 nM
   TI
   LI
   LO
   TS
2
Ki = 630 nM
   TI
   LI
   LO
   TS