Brief Information of the Compound and Protein
Compound Name
(S)-2-{(R)-2-[(S)-2-Acetylamino-3-(1H-imidazol-4-yl)-propionylamino]-3-phenyl-propionylamino}-5-guanidino-pentanoic acid [(S)-1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide
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PubChem ID
CID: 11093672
SID: 57254734
Canonical SMILES
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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Compound Formula C34H43N11O5
Compound Structure
Protein Name
Melanocortin receptor 4
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Short peptide receptor (family A GPCR)
>
Melanocortin receptor
Uniprot ID
P56450
Gene Name
MC4R
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)  12
1
EC50 = 2.28 nM
   TI
   LI
   LO
   TS
2
EC50 = 5.4 nM
   TI
   LI
   LO
   TS
3
EC50 = 5.5 nM
   TI
   LI
   LO
   TS
4
EC50 = 5.6 nM
   TI
   LI
   LO
   TS
5
EC50 = 13.7 nM
   TI
   LI
   LO
   TS
6
EC50 = 16 nM
   TI
   LI
   LO
   TS
7
EC50 = 17 nM
   TI
   LI
   LO
   TS
8
EC50 = 21 nM
   TI
   LI
   LO
   TS
9
EC50 = 240 nM
   TI
   LI
   LO
   TS
10
IC50 = 121 nM
   TI
   LI
   LO
   TS
11
IC50 = 214 nM
   TI
   LI
   LO
   TS
12
Kd = 5.012 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 17.2 nM