Reaction Details Report a problem with these data
Target
Catechol O-methyltransferase
Ligand
BDBM84479
Substrate
n/a
Meas. Tech.
Radiochemical Assay
Temperature
310.15±0 K
IC50
27±0.0 nM
Citation
 Paulini, R; Lerner, C; Jakob-Roetne, R; Zürcher, G; Borroni, E; Diederich, F Bisubstrate inhibitors of the enzyme catechol O-methyltransferase (COMT): efficient inhibition despite the lack of a nitro group. Chembiochem 5:1270-4 (2004) [PubMed]  Article 
Target
Name:
Catechol O-methyltransferase
Synonyms:
COMT_RAT | Catechol O-methyltransferase | Catechol-O-methyltransferase | Comt
Type:
Enzyme
Mol. Mass.:
29594.09
Organism:
Rattus norvegicus (Rat)
Description:
n/a
Residue:
264
Sequence:
MPLAAVSLGLLLLALLLLLRHLGWGLVTIFWFEYVLQPVHNLIMGDTKEQRILRYVQQNAKPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMDAVIREYSPSLVLELGAYCGYSAVRMARLLQPGARLLTMEMNPDYAAITQQMLNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSYLEYMKVVDGLEKAIYQGPSSPDKS
  
Inhibitor
Name:
BDBM84479
Synonyms:
Bi-substrate Inhibitor, 1e
Type:
Small organic molecule
Emp. Form.:
C22H21N7O6S
Mol. Mass.:
511.51
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](\C=C\CNC(=O)c2cc(cc(O)c2O)-c2nccs2)[C@@H](O)[C@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: