Target
Catechol O-methyltransferase
Ligand
BDBM50004044
Substrate
n/a
Meas. Tech.
ChEMBL_47060 (CHEMBL661101)
Ki
13500±n/a nM
Citation
 Pérez, RAFernández-Alvarez, ENieto, OPiedrafita, 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:
BDBM50004044
Synonyms:
3-Hydroxy-4-methoxy-5-nitro-benzaldehyde | CHEMBL89320
Type:
Small organic molecule
Emp. Form.:
C8H7NO5
Mol. Mass.:
197.1449
SMILES:
COc1c(O)cc(C=O)cc1[N+]([O-])=O
Structure:
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