Reaction Details Report a problem with these data
Target
Catechol O-methyltransferase
Ligand
BDBM50017846
Substrate
n/a
Meas. Tech.
ChEBML_47065
IC50
12±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:
BDBM50017846
Synonyms:
3,5-DINITROCATECHOL | 3,5-Dinitro-benzene-1,2-diol | CHEMBL168276 | US10278929, 3,5-dinitrocatecol | US11337935, 3,5-dinitrocatechol
Type:
Small organic molecule
Emp. Form.:
C6H4N2O6
Mol. Mass.:
200.1058
SMILES:
Oc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: