Target
Catechol O-methyltransferase
Ligand
BDBM50534432
Substrate
n/a
Meas. Tech.
ChEMBL_1929004 (CHEMBL4432180)
IC50
13±n/a nM
Citation
 Silva, TMohamed, TShakeri, ARao, PPMartínez-González, LPérez, DIMartínez, AValente, MJGarrido, JUriarte, ESerrão, PSoares-da-Silva, PRemião, FBorges, 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:
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:
BDBM50534432
Synonyms:
CHEMBL4463709
Type:
Small organic molecule
Emp. Form.:
C14H15NO8
Mol. Mass.:
325.2708
SMILES:
[#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]\c1cc(-[#8])c(-[#8])c(c1)-[#7+](-[#8-])=O)\[#6](=O)-[#8]-[#6]-[#6]
Structure:
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