Reaction Details Report a problem with these data
Target
Melanocortin receptor 4
Ligand
BDBM50357058
Substrate
n/a
Meas. Tech.
ChEMBL_976660 (CHEMBL2417035)
Ki
990±n/a nM
Citation
 Alleti, R; Vagner, J; Dehigaspitiya, DC; Moberg, VE; Elshan, NG; Tafreshi, NK; Brabez, N; Weber, CS; Lynch, RM; Hruby, VJ; Gillies, RJ; Morse, DL; Mash, EA Synthesis and characterization of time-resolved fluorescence probes for evaluation of competitive binding to melanocortin receptors. Bioorg Med Chem 21:5029-38 (2013) [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:
BDBM50357058
Synonyms:
CHEMBL1917059
Type:
Small organic molecule
Emp. Form.:
C44H60N14O5
Mol. Mass.:
865.038
SMILES:
CCCCc1cn(CCCCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1 |r,wU:36.37,15.14,25.25,wD:47.48,(-11.47,-21.37,;-10.69,-20.03,;-9.15,-20.02,;-8.39,-18.69,;-6.85,-18.68,;-5.81,-19.81,;-4.41,-19.17,;-3.07,-19.92,;-1.74,-19.14,;-.4,-19.9,;.93,-19.11,;2.27,-19.87,;3.59,-19.08,;3.58,-17.54,;4.94,-19.84,;6.27,-19.07,;6.27,-17.53,;7.61,-16.75,;9.01,-17.39,;10.05,-16.07,;9.28,-14.91,;7.77,-15.22,;7.61,-19.84,;7.61,-21.38,;8.94,-19.07,;10.27,-19.84,;10.27,-21.38,;11.61,-22.15,;12.94,-21.39,;14.27,-22.16,;14.27,-23.7,;12.93,-24.47,;11.6,-23.7,;11.61,-19.07,;11.61,-17.54,;12.94,-19.84,;14.27,-19.08,;14.27,-17.54,;15.61,-16.77,;15.61,-15.23,;16.94,-14.46,;16.94,-12.92,;15.62,-12.15,;18.28,-12.15,;15.61,-19.85,;15.61,-21.39,;16.94,-19.08,;18.28,-19.85,;18.28,-21.39,;19.61,-22.16,;21.01,-21.54,;22.04,-22.69,;21.27,-24.02,;21.75,-25.48,;20.71,-26.63,;19.21,-26.31,;18.73,-24.84,;19.77,-23.7,;19.61,-19.08,;20.95,-19.85,;19.61,-17.54,;-4.59,-17.64,;-6.1,-17.33,)|
Structure:
Search PDB for entries with ligand similarity: