Reaction Details Report a problem with these data
Target
Melanocortin receptor 4
Ligand
BDBM50168678
Substrate
n/a
Meas. Tech.
ChEMBL_376465 (CHEMBL863666)
Ki
36±n/a nM
Citation
 Tran, JA; Pontillo, J; Fleck, BA; Marinkovic, D; Arellano, M; Tucci, FC; Lanier, M; Saunders, J; Jiang, W; Chen, CW; Foster, AC; Chen, C Design, synthesis, and SAR studies on a series of 2-pyridinylpiperazines as potent antagonists of the melanocortin-4 receptor. Bioorg Med Chem Lett 16:3693-6 (2006) [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:
BDBM50168678
Synonyms:
(R)-1-((1-(4-(2-(3-aminopropanamido)-3-(2,4-dichlorophenyl)propanoyl)piperazin-1-yl)cyclohexyl)methyl)-3-(4-methoxyphenyl)urea | 3-Amino-N-[(R)-1-(2,4-dichloro-benzyl)-2-(4-{1-[3-(4-methoxy-phenyl)-ureidomethyl]-cyclohexyl}-piperazin-1-yl)-2-oxo-ethyl]-propionamide | CHEMBL188432
Type:
Small organic molecule
Emp. Form.:
C31H42Cl2N6O4
Mol. Mass.:
633.609
SMILES:
COc1ccc(NC(=O)NCC2(CCCCC2)N2CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)cc1
Structure:
Search PDB for entries with ligand similarity: