Reaction Details Report a problem with these data
Target
Melanocortin receptor 4
Ligand
BDBM50126095
Substrate
n/a
Meas. Tech.
ChEBML_106817
EC50
0.300000±n/a nM
Citation
 Cheung, AW; Danho, W; Swistok, J; Qi, L; Kurylko, G; Rowan, K; Yeon, M; Franco, L; Chu, XJ; Chen, L; Yagaloff, K Structure-activity relationship of cyclic peptide penta-c[Asp-His(6)-DPhe(7)-Arg(8)-Trp(9)-Lys]-NH(2) at the human melanocortin-1 and -4 receptors: His(6) substitution. Bioorg Med Chem Lett 13:1307-11 (2003) [PubMed]  Article 
Target
Name:
Melanocortin receptor 4
Synonyms:
MC4-R | MC4R | MC4R_HUMAN | Melanocortin MC4 | Melanocortin receptor 4 (MC-4) | Melanocortin receptor 4 (MC4-R) | Melanocortin receptor 4 (MC4R)
Type:
Enzyme
Mol. Mass.:
36949.50
Organism:
Homo sapiens (Human)
Description:
P32245
Residue:
332
Sequence:
MVNSTHRGMHTSLHLWNRSSYRLHSNASESLGKGYSDGGCYEQLFVSPEVFVTLGVISLLENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVNIDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVKRVGIIISCIWAACTVSGILFIIYSDSSAVIICLITMFFTMLALMASLYVHMFLMARLHIKRIAVLPGTGAIRQGANMKGAITLTILIGVFVVCWAPFFLHLIFYISCPQNPYCVCFMSHFNLYLILIMCNSIIDPLIYALRSQELRKTFKEIICCYPLGGLCDLSSRY
  
Inhibitor
Name:
BDBM50126095
Synonyms:
(12S,16S,23R)-15-(2-Acetylamino-hexanoylamino)-9-benzyl-12-((R)-2-carbamoyl-ethyl)-6-(3-guanidino-propyl)-3-(1H-indol-3-ylmethyl)-5,8,11,14,17-pentaoxo-2-(S)-oxo-1,4,7,10,13,18hexaaza-cyclotricosane-23-carboxylacid amide | CHEMBL3037885
Type:
Small organic molecule
Emp. Form.:
C49H70N14O10
Mol. Mass.:
1015.1679
SMILES:
CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(N)=O |wU:25.25,61.64,39.41,wD:12.11,21.73,50.52,4.3,(5.76,-12.84,;4.56,-12.15,;4.57,-10.78,;3.37,-10.09,;3.38,-8.71,;2.18,-8.01,;.99,-8.7,;-.21,-8.01,;.99,-10.08,;4.57,-8.02,;4.58,-6.64,;5.77,-8.71,;6.96,-8.02,;7.41,-9.5,;8.24,-10.8,;7.06,-11.8,;9.39,-11.82,;10.77,-12.51,;12.29,-12.78,;13.82,-12.65,;15.26,-12.09,;16.51,-11.17,;17.45,-9.96,;18.03,-8.54,;19.52,-8.92,;18.21,-7,;19.74,-6.98,;21.21,-7.44,;22.46,-6.52,;23.71,-7.42,;23.25,-8.88,;24.02,-10.21,;23.27,-11.55,;21.73,-11.57,;20.94,-10.23,;21.71,-8.9,;17.96,-5.48,;17.32,-4.08,;18.62,-3.24,;16.32,-2.91,;17.34,-1.76,;16.86,-.3,;17.87,.87,;17.41,2.32,;15.89,2.62,;14.86,1.5,;15.4,4.1,;15.03,-2.05,;13.57,-1.57,;13.86,-.05,;12.02,-1.49,;11.88,.03,;11.11,1.39,;11.88,2.71,;11.11,4.05,;9.56,4.05,;8.79,2.69,;9.57,1.37,;10.53,-1.84,;9.17,-2.57,;8.25,-1.34,;8.08,-3.66,;6.7,-2.57,;5.07,-3.2,;3.7,-2.09,;2.07,-2.72,;3.97,-.36,;7.3,-5,;6.92,-6.5,;5.38,-6.31,;17.58,-12.28,;17.16,-13.76,;19.08,-11.9,)|
Structure:
Search PDB for entries with ligand similarity: