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Target
Catechol O-methyltransferase
Ligand
BDBM50108877
Substrate
n/a
Meas. Tech.
ChEMBL_1929004 (CHEMBL4432180)
IC50
31±n/a nM
Citation
 Silva, T; Mohamed, T; Shakeri, A; Rao, PP; Martínez-González, L; Pérez, DI; Martínez, A; Valente, MJ; Garrido, J; Uriarte, E; Serrão, P; Soares-da-Silva, P; Remião, F; Borges, F Development of Blood-Brain Barrier Permeable Nitrocatechol-Based Catechol O-Methyltransferase Inhibitors with Reduced Potential for Hepatotoxicity. J Med Chem 59:7584-97 (2016) [PubMed]  Article 
Target
Name:
Catechol O-methyltransferase
Synonyms:
Catechol O-methyltransferase | Catechol-O-methyltransferase | COMT_RAT | Comt
Type:
Enzyme
Mol. Mass.:
29594.09
Organism:
Rat
Description:
n/a
Residue:
264
Sequence:
MPLAAVSLGLLLLALLLLLRHLGWGLVTIFWFEYVLQPVHNLIMGDTKEQRILRYVQQNAKPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMDAVIREYSPSLVLELGAYCGYSAVRMARLLQPGARLLTMEMNPDYAAITQQMLNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSYLEYMKVVDGLEKAIYQGPSSPDKS
  
Inhibitor
Name:
BDBM50108877
Synonyms:
CHEMBL1324 | Tasmar | Ro-40-7592 | (3,4-dihydroxy-5-nitrophenyl)(p-tolyl)methanone | Talcapone | (3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone | TOLCAPONE
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-]
Structure:
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