Reaction Details Report a problem with these data
Target
Melanocortin receptor 3
Ligand
BDBM50130014
Substrate
n/a
Meas. Tech.
ChEBML_106007
IC50
>10000±n/a nM
Citation
 Fotsch, C; Smith, DM; Adams, JA; Cheetham, J; Croghan, M; Doherty, EM; Hale, C; Jarosinski, MA; Kelly, MG; Norman, MH; Tamayo, NA; Xi, N; Baumgartner, JW Design of a new peptidomimetic agonist for the melanocortin receptors based on the solution structure of the peptide ligand, Ac-Nle-cyclo[Asp-Pro-DPhe-Arg-Trp-Lys]-NH(2). Bioorg Med Chem Lett 13:2337-40 (2003) [PubMed]  Article 
Target
Name:
Melanocortin receptor 3
Synonyms:
MC3-R | MC3R | MC3R_HUMAN | Melanocortin MC3 | Melanocortin receptor (M3 and M4)
Type:
Enzyme
Mol. Mass.:
36044.86
Organism:
Homo sapiens (Human)
Description:
P41968
Residue:
323
Sequence:
MNASCCLPSVQPTLPNGSEHLQAPFFSNQSSSAFCEQVFIKPEVFLSLGIVSLLENILVILAVVRNGNLHSPMYFFLCSLAVADMLVSVSNALETIMIAIVHSDYLTFEDQFIQHMDNIFDSMICISLVASICNLLAIAVDRYVTIFYALRYHSIMTVRKALTLIVAIWVCCGVCGVVFIVYSESKMVIVCLITMFFAMMLLMGTLYVHMFLFARLHVKRIAALPPADGVAPQQHSCMKGAVTITILLGVFIFCWAPFFLHLVLIITCPTNPYCICYTAHFNTYLVLIMCNSVIDPLIYAFRSLELRNTFREILCGCNGMNLG
  
Inhibitor
Name:
BDBM50130014
Synonyms:
(R)-2-Acetylamino-N-(4-{acetyl-[2-(1H-indol-3-yl)-ethyl]-amino}-cyclohexyl)-N-(4-guanidino-butyl)-3-phenyl-propionamide | 1N-[4-amino(imino)methylaminobutyl]-1N-{4-[2-(1H-3-indolyl)ethyl(methyl)carboxamido]cyclohexyl}-2-methylcarboxamido-3-phenyl-(2R)-propanamide | CHEMBL309807
Type:
Small organic molecule
Emp. Form.:
C34H47N7O3
Mol. Mass.:
601.7821
SMILES:
CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCNC(N)=N)C1CCC(CC1)N(CCc1c[nH]c2ccccc12)C(C)=O |wD:4.3,(14.52,1.42,;13.19,.63,;13.2,-.91,;11.84,1.39,;10.51,.61,;10.53,-.94,;11.29,-2.27,;12.81,-2.27,;13.57,-3.59,;12.8,-4.92,;11.27,-4.91,;10.51,-3.59,;9.17,1.37,;9.15,2.91,;7.84,.58,;6.5,1.35,;6.48,2.89,;5.14,3.64,;5.13,5.18,;3.77,5.94,;2.46,5.16,;1.11,5.93,;2.46,3.62,;7.86,-.97,;7.09,-2.32,;5.36,-1.71,;4.19,-2.13,;4.94,-.77,;6.58,-1.39,;2.85,-1.36,;1.52,-2.13,;1.5,-3.67,;.17,-4.43,;-1.24,-3.8,;-2.28,-4.94,;-1.51,-6.27,;-1.99,-7.72,;-.97,-8.88,;.55,-8.57,;1.01,-7.11,;,-5.97,;2.85,.19,;1.52,.96,;4.19,.96,)|
Structure:
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