Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCatechol O-methyltransferase
LigandBDBM50367030
Substrate/Competitorn/a
Meas. Tech.ChEBML_47238
Ki 800000±n/a nM
Citation Anderson, GLBussolotti, DLCoward, JK Synthesis and evaluation of some stable multisubstrate adducts as inhibitors of catechol O-methyltransferase. J Med Chem24:1271-7 (1982) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Catechol O-methyltransferase
Name:Catechol O-methyltransferase
Synonyms:COMT | COMT_HUMAN | Catechol O-methyltransferase | Catechol O-methyltransferase (MB-COMT)
Type:Enzyme
Mol. Mass.:30030.67
Organism:Homo sapiens (Human)
Description:P21964
Residue:271
Sequence:
MPEAPPLLLAAVLLGLVLLVVLLLLLRHWGWGLCLIGWNEFILQPIHNLLMGDTKEQRIL
NHVLQHAEPGNAQSVLEAIDTYCEQKEWAMNVGDKKGKIVDAVIQEHQPSVLLELGAYCG
YSAVRMARLLSPGARLITIEINPDCAAITQRMVDFAGVKDKVTLVVGASQDIIPQLKKKY
DVDTLDMVFLDHWKDRYLPDTLLLEECGLLRKGTVLLADNVICPGAPDFLAHVRGSSCFE
CTHYQSFLEYREVVDGLEKAIYKGPGSEAGP
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50367030
n/a
NameBDBM50367030
Synonyms:CHEMBL539878
TypeSmall organic molecule
Emp. Form.C19H24N5O4S
Mol. Mass.418.489
SMILESC[S+](CCc1ccccc1)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: