Reaction Details Report a problem with these data
Target
Melanocortin receptor 4
Ligand
BDBM50521268
Substrate
n/a
Meas. Tech.
ChEMBL_1883827 (CHEMBL4385326)
EC50
0.340000±n/a nM
Citation
 Huang, H; Meegalla, SK; Lanter, JC; Winters, MP; Zhao, S; Littrell, J; Qi, J; Rady, B; Lee, PS; Liu, J; Martin, T; Lam, WW; Xu, F; Lim, HK; Wilde, T; Silva, J; Otieno, M; Pocai, A; Player, MR Discovery of a GPR40 Superagonist: The Impact of Aryl Propionic Acid ?-Fluorination. ACS Med Chem Lett 10:16-21 (2019) [PubMed]  Article 
Target
Name:
Melanocortin receptor 4
Synonyms:
MC4-R | MC4R_RAT | Mc4r
Type:
PROTEIN
Mol. Mass.:
36892.87
Organism:
Rattus norvegicus
Description:
ChEMBL_11005
Residue:
332
Sequence:
MNSTHHHGMYTSLHLWNRSSHGLHGNASESLGKGHSDGGCYEQLFVSPEVFVTLGVISLLENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVNIDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVRRVGIIISCIWAACTVSGVLFIIYSDSSAVIICLITMFFTMLVLMASLYVHMFLMARLHIKRIAVLPGTGTIRQGANMKGAITLTILIGVFVVCWAPFFLHLLFYISCPQNPYCVCFMSHFNLYLILIMCNAVIDPLIYALRSQELRKTFKEIICFYPLGGICELPGRY
  
Inhibitor
Name:
BDBM50521268
Synonyms:
CHEMBL4457303
Type:
Small organic molecule
Emp. Form.:
C27H32F2O4
Mol. Mass.:
458.5374
SMILES:
COc1ccc(F)c(c1)[C@H]1CC[C@H](COc2cccc(c2)[C@H](C2CC2)[C@@](C)(F)C(O)=O)CC1 |r,wU:25.28,9.9,wD:12.13,21.23,(31.08,-28,;32.42,-28.76,;33.75,-27.98,;33.74,-26.43,;35.07,-25.66,;36.41,-26.42,;37.74,-25.65,;36.41,-27.96,;35.09,-28.74,;37.74,-28.73,;39.07,-27.95,;40.4,-28.73,;40.4,-30.27,;41.73,-31.04,;43.07,-30.27,;44.4,-31.04,;44.39,-32.58,;45.72,-33.35,;47.06,-32.58,;47.06,-31.03,;45.73,-30.27,;48.39,-30.26,;48.39,-28.72,;49.15,-27.39,;47.61,-27.39,;49.72,-31.02,;48.95,-32.35,;50.48,-32.35,;51.06,-30.26,;52.4,-31.02,;51.06,-28.71,;39.07,-31.03,;37.74,-30.27,)|
Structure:
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