Reaction Details Report a problem with these data
Target
Melanocortin receptor 4
Ligand
BDBM293987
Substrate
n/a
Meas. Tech.
ChEMBL_1749939 (CHEMBL4184699)
EC50
10.0±n/a nM
Citation
  TBA Bioorg Med Chem Lett 28:429-436 (2018) [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:
BDBM293987
Synonyms:
5-((2S)-2-(4-((2-Methyl-3-(2- methylphenyl)benzo[b]thiophen- 5-yl)methoxy)phenyl)pent-3- ynyl)-1H-tetrazole | US10106553, Compound 19
Type:
Small organic molecule
Emp. Form.:
C29H26N4OS
Mol. Mass.:
478.608
SMILES:
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(C)c(-c4ccccc4C)c3c2)cc1 |r,wD:3.10,(4.77,-5,;4.77,-3.47,;4.77,-1.93,;4.77,-.38,;6.1,.38,;7.44,-.38,;7.44,-1.93,;8.9,-2.4,;9.81,-1.15,;8.9,.09,;3.44,.38,;2.1,-.38,;.77,.38,;.77,1.93,;-.56,2.69,;-1.9,1.93,;-3.23,2.69,;-3.23,4.23,;-4.56,5,;-5.9,4.23,;-7.36,4.71,;-8.27,3.47,;-9.81,3.47,;-7.36,2.22,;-7.76,.73,;-9.25,.33,;-9.65,-1.15,;-8.56,-2.24,;-7.07,-1.84,;-6.67,-.36,;-5.19,.04,;-5.9,2.69,;-4.56,1.93,;2.1,2.69,;3.44,1.93,)|
Structure:
Search PDB for entries with ligand similarity: