Reaction Details Report a problem with these data
Target
Melanocortin receptor 4
Ligand
BDBM50217779
Substrate
n/a
Meas. Tech.
ChEMBL_448693 (CHEMBL897839)
Ki
1900±n/a nM
Citation
 Mutulis, F; Kreicberga, J; Yahorava, S; Mutule, I; Borisova-Jan, L; Yahorau, A; Muceniece, R; Azena, S; Veiksina, S; Petrovska, R; Wikberg, JE Design and synthesis of a library of tertiary amides: evaluation as mimetics of the melanocortins' active core. Bioorg Med Chem 15:5787-810 (2007) [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:
BDBM50217779
Synonyms:
CHEMBL394667 | N-{4-[(4-aminocyclohexyl)methyl]cyclohexyl}-4-{2-[(4-hydroxyphenyl)methyl]-1H-indol-3-yl}-N-[(4-methylphenyl)methyl]butanamide
Type:
Small organic molecule
Emp. Form.:
C40H51N3O2
Mol. Mass.:
605.8518
SMILES:
Cc1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1 |(27.65,-19.83,;28.99,-20.58,;30.32,-19.79,;31.66,-20.54,;31.68,-22.09,;33.03,-22.84,;34.35,-22.05,;34.32,-20.49,;35.66,-19.7,;35.64,-18.15,;34.29,-17.39,;34.27,-15.85,;35.59,-15.06,;36.93,-15.83,;38.26,-15.05,;38.25,-13.51,;39.57,-12.72,;36.9,-12.75,;35.58,-13.53,;32.95,-18.18,;32.96,-19.74,;35.7,-22.81,;35.73,-24.36,;37.03,-22.01,;38.37,-22.74,;39.7,-21.97,;41.05,-22.7,;42.45,-22.06,;43.16,-20.71,;44.71,-20.71,;45.46,-22.05,;47.01,-22.05,;47.78,-20.72,;49.32,-20.72,;47.01,-19.38,;45.47,-19.38,;43.5,-23.19,;42.74,-24.54,;43.23,-25.98,;42.23,-27.14,;40.71,-26.84,;40.23,-25.39,;41.23,-24.23,;30.36,-22.87,;29.02,-22.13,)|
Structure:
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