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Target
Catechol O-methyltransferase
Ligand
BDBM50017852
Substrate
n/a
Meas. Tech.
ChEBML_47065
IC50
12±n/a nM
Citation
 Bäckström, R; Honkanen, E; Pippuri, A; Kairisalo, P; Pystynen, J; Heinola, K; Nissinen, E; Linden, IB; Männistö, PT; Kaakkola, S Synthesis of some novel potent and selective catechol O-methyltransferase inhibitors. J Med Chem 32:841-6 (1989) [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:
BDBM50017852
Synonyms:
4-(3,4-Dihydroxy-5-nitro-phenyl)-3-methyl-but-3-en-2-one | CHEMBL167054
Type:
Small organic molecule
Emp. Form.:
C11H11NO5
Mol. Mass.:
237.2087
SMILES:
CC(=O)C(C)=Cc1cc(O)c(O)c(c1)[N+]([O-])=O |w:5.5|
Structure:
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