Reaction Details Report a problem with these data
Target
Catechol O-methyltransferase
Ligand
BDBM50019329
Substrate
n/a
Meas. Tech.
ChEMBL_1362908 (CHEMBL3291950)
Ki
1.5±n/a nM
Citation
 Lanier, M; Ambrus, G; Cole, DC; Davenport, R; Ellery, J; Fosbeary, R; Jennings, AJ; Kadotani, A; Kamada, Y; Kamran, R; Matsumoto, S; Mizukami, A; Okubo, S; Okada, K; Saikatendu, K; Walsh, L; Wu, H; Hixon, MS A fragment-based approach to identifying S-adenosyl-l-methionine -competitive inhibitors of catechol O-methyl transferase (COMT). J Med Chem 57:5459-63 (2014) [PubMed]  Article 
Target
Name:
Catechol O-methyltransferase
Synonyms:
COMT_MOUSE | Comt | Comt1
Type:
PROTEIN
Mol. Mass.:
29482.97
Organism:
Mus musculus
Description:
ChEMBL_108370
Residue:
265
Sequence:
MLLAAVSLGLLLLAFLLLLRHLGWGLVAIGWFEFVQQPVHNLLMGGTKEQRILRHVQQHAKPGDPQSVLEAIDTYCSEKEWAMNVGDAKGQIMDAVIREYRPSLVLELGAYCGYSAVRMARLLPPGARLLTMEINPDYAAITQQMLDFAGLQDKVSILIGASQDLIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEECGLLRKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSYLEYMKVVDGLEKAVYQGPGSSPVKS
  
Inhibitor
Name:
BDBM50019329
Synonyms:
CHEMBL1089318
Type:
Small organic molecule
Emp. Form.:
C15H10Cl2N4O6
Mol. Mass.:
413.169
SMILES:
Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(n1)-c1cc(O)c(O)c(c1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: