Reaction Details Report a problem with these data
Target
Catechol O-methyltransferase
Ligand
BDBM84489
Substrate
n/a
Meas. Tech.
Radiochemical Assay
Temperature
310.15±0 K
IC50
97±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:
BDBM84489
Synonyms:
Bi-substrate Inhibitor, 1o
Type:
Small organic molecule
Emp. Form.:
C24H27N7O7
Mol. Mass.:
525.5139
SMILES:
CN(C)C(=O)\C=C\c1cc(O)c(O)c(c1)C(=O)NC\C=C\[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Structure:
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