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TargetCatechol O-methyltransferase
LigandBDBM50167083
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1573539 (CHEMBL3801494)
IC50 11±n/a nM
Citation Zhao, ZHarrison, STSchubert, JWSanders, JMPolsky-Fisher, SZhang, NRMcLoughlin, DGibson, CRRobinson, RGSachs, NAKandebo, MYao, LSmith, SMHutson, PHWolkenberg, SEBarrow, JC Synthesis and optimization of N-heterocyclic pyridinones as catechol-O-methyltransferase (COMT) inhibitors. Bioorg Med Chem Lett26:2952-2956 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Catechol O-methyltransferase
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:
MPLAAVSLGLLLLALLLLLRHLGWGLVTIFWFEYVLQPVHNLIMGDTKEQRILRYVQQNA
KPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMDAVIREYSPSLVLELGAYCGYSAVRMA
RLLQPGARLLTMEMNPDYAAITQQMLNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDM
VFLDHWKDRYLPDTLLLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSY
LEYMKVVDGLEKAIYQGPSSPDKS
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  Blast E-value cutoff:
BDBM50167083
n/a
NameBDBM50167083
Synonyms:CHEMBL3800482
TypeSmall organic molecule
Emp. Form.C16H10F3N3O2
Mol. Mass.333.2647
SMILESOc1cn(ccc1=O)-c1cc(ccn1)-c1cccc(n1)C(F)(F)F
Structure
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