Reaction Details Report a problem with these data
Target
Catechol O-methyltransferase
Ligand
BDBM50017859
Substrate
n/a
Meas. Tech.
ChEBML_47065
IC50
1100±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:
BDBM50017859
Synonyms:
CHEMBL352270 | N-Adamantan-1-yl-4,5-dihydroxy-2-nitro-benzamide
Type:
Small organic molecule
Emp. Form.:
C17H20N2O5
Mol. Mass.:
332.3511
SMILES:
Oc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(cc1O)[N+]([O-])=O |TLB:14:13:16:9.8.10,14:9:16:13.15.12,THB:12:13:8:11.16.10,12:11:8:13.15.14|
Structure:
Search PDB for entries with ligand similarity: