Reaction Details Report a problem with these data
Target
Catechol O-methyltransferase
Ligand
BDBM50058816
Substrate
n/a
Meas. Tech.
ChEMBL_47242 (CHEMBL656649)
Ki
136000±n/a nM
Citation
 Brevitt, SE; Tan, EW Synthesis and in vitro evaluation of two progressive series of bifunctional polyhydroxybenzamide catechol-O-methyltransferase inhibitors. J Med Chem 40:2035-9 (1997) [PubMed]  Article 
Target
Name:
Catechol O-methyltransferase
Synonyms:
COMT | COMT_PIG
Type:
PROTEIN
Mol. Mass.:
20586.58
Organism:
Sus scrofa
Description:
ChEMBL_105412
Residue:
186
Sequence:
KERAMHVGRKKGQIVDTVVQEQRPSVLLELGAYCGYSAVRMARLLLPSARLLTIELNPDNAAIAQQVVDFAGLQDRVTVVVGASQDIIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEECGLLRKGTVLLADNVICPGAPDFLAHVRGCGRFECTHFSSYLEYSQMVDGLEKAVYKGPGSPAQP
  
Inhibitor
Name:
BDBM50058816
Synonyms:
CHEMBL292067 | N,N'-1,2-Ethanediylbis(3,4,5-trihydroxybenzamide)Hydrate | US9120744, CDE-044
Type:
Small organic molecule
Emp. Form.:
C16H16N2O8
Mol. Mass.:
364.3068
SMILES:
Oc1cc(cc(O)c1O)C(=O)NCCNC(=O)c1cc(O)c(O)c(O)c1
Structure:
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