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Target
Catechol O-methyltransferase
Ligand
BDBM50017871
Substrate
n/a
Meas. Tech.
ChEBML_47065
IC50
20±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:
BDBM50017871
Synonyms:
2-(3,4-Dihydroxy-5-nitro-benzylidene)-malononitrile | 2-(3,4-dihydroxy-5-nitrobenzylidene)malononitrile | AG-1288 | CHEMBL166486
Type:
Small organic molecule
Emp. Form.:
C10H5N3O4
Mol. Mass.:
231.1644
SMILES:
[#8]-c1cc(\[#6]=[#6](\C#N)C#N)cc(c1-[#8])-[#7+](-[#8-])=O
Structure:
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