Reaction Details Report a problem with these data
Target
Catechol O-methyltransferase
Ligand
BDBM50178790
Substrate
n/a
Meas. Tech.
ChEMBL_325427 (CHEMBL858657)
IC50
130±n/a nM
Citation
 Learmonth, DA; Bonifácio, MJ; Soares-da-Silva, P Synthesis and biological evaluation of a novel series of"ortho-nitrated" inhibitors of catechol-O-methyltransferase. J Med Chem 48:8070-8 (2005) [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:
BDBM50178790
Synonyms:
1-(3,4-dihydroxy-2-nitrophenyl)-4-phenylbutan-1-one | CHEMBL8476
Type:
Small organic molecule
Emp. Form.:
C16H15NO5
Mol. Mass.:
301.294
SMILES:
Oc1ccc(C(=O)CCCc2ccccc2)c(c1O)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: