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Target
Catechol O-methyltransferase
Ligand
BDBM50167085
Substrate
n/a
Meas. Tech.
ChEMBL_1573539 (CHEMBL3801494)
IC50
28±n/a nM
Citation
 Zhao, Z; Harrison, ST; Schubert, JW; Sanders, JM; Polsky-Fisher, S; Zhang, NR; McLoughlin, D; Gibson, CR; Robinson, RG; Sachs, NA; Kandebo, M; Yao, L; Smith, SM; Hutson, PH; Wolkenberg, SE; Barrow, JC Synthesis and optimization of N-heterocyclic pyridinones as catechol-O-methyltransferase (COMT) inhibitors. Bioorg Med Chem Lett 26:2952-2956 (2016) [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:
BDBM50167085
Synonyms:
CHEMBL3799623
Type:
Small organic molecule
Emp. Form.:
C20H16N4O2
Mol. Mass.:
344.3666
SMILES:
Oc1cn(ccc1=O)-c1cc(ccn1)-c1cnn(Cc2ccccc2)c1
Structure:
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