Reaction Details Report a problem with these data
Target
Melanocortin receptor 4
Ligand
BDBM50358560
Substrate
n/a
Meas. Tech.
ChEMBL_790329 (CHEMBL1925782)
Ki
988±n/a nM
Citation
 Barkey, NM; Tafreshi, NK; Josan, JS; De Silva, CR; Sill, KN; Hruby, VJ; Gillies, RJ; Morse, DL; Vagner, J Development of melanoma-targeted polymer micelles by conjugation of a melanocortin 1 receptor (MC1R) specific ligand. J Med Chem 54:8078-84 (2011) [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:
BDBM50358560
Synonyms:
CHEMBL1923663
Type:
Small organic molecule
Emp. Form.:
C44H54N12O6
Mol. Mass.:
846.9764
SMILES:
CC(=O)N[C@@H](CCc1ccccc1)C(=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 |r,wU:26.27,37.39,16.16,wD:48.50,4.3,(-5.47,-21.29,;-4.14,-22.06,;-4.14,-23.6,;-2.81,-21.28,;-1.47,-22.05,;-1.47,-23.59,;-.13,-24.36,;-.13,-25.9,;-1.46,-26.66,;-1.46,-28.2,;-.12,-28.97,;1.21,-28.19,;1.2,-26.66,;-.14,-21.28,;-.14,-19.74,;1.2,-22.05,;2.52,-21.28,;2.52,-19.74,;3.86,-18.96,;5.34,-19.43,;6.22,-18.17,;5.3,-16.94,;3.84,-17.43,;3.86,-22.05,;3.86,-23.59,;5.19,-21.28,;6.53,-22.05,;6.53,-23.59,;7.86,-24.36,;9.19,-23.6,;10.53,-24.37,;10.52,-25.91,;9.19,-26.68,;7.85,-25.91,;7.86,-21.28,;7.86,-19.75,;9.2,-22.05,;10.53,-21.29,;10.53,-19.75,;11.86,-18.98,;11.86,-17.44,;13.2,-16.67,;13.2,-15.13,;11.87,-14.36,;14.54,-14.36,;11.86,-22.06,;11.86,-23.6,;13.19,-21.29,;14.53,-22.06,;14.53,-23.6,;15.86,-24.37,;17.11,-23.48,;18.35,-24.39,;17.87,-25.85,;18.64,-27.18,;17.86,-28.52,;16.32,-28.51,;15.55,-27.17,;16.33,-25.84,;15.86,-21.29,;17.2,-22.06,;15.86,-19.75,)|
Structure:
Search PDB for entries with ligand similarity: