Reaction Details Report a problem with these data
Target
Catechol O-methyltransferase
Ligand
BDBM50004049
Substrate
n/a
Meas. Tech.
ChEMBL_47058 (CHEMBL661099)
IC50
1500±n/a nM
Citation
 Pérez, RA; Fernández-Alvarez, E; Nieto, O; Piedrafita, FJ Dihydroxynitrobenzaldehydes and hydroxymethoxynitrobenzaldehydes: synthesis and biological activity as catechol-O-methyltransferase inhibitors. J Med Chem 35:4584-8 (1993) [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:
BDBM50004049
Synonyms:
3,4-Dihydroxy-2-nitro-benzaldehyde | CHEMBL139882
Type:
Small organic molecule
Emp. Form.:
C7H5NO5
Mol. Mass.:
183.1183
SMILES:
Oc1ccc(C=O)c(c1O)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: