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Target
Catechol O-methyltransferase
Ligand
BDBM50367028
Substrate
n/a
Meas. Tech.
ChEBML_47238
Ki
5800000±n/a nM
Citation
 Anderson, GL; Bussolotti, DL; Coward, JK Synthesis and evaluation of some stable multisubstrate adducts as inhibitors of catechol O-methyltransferase. J Med Chem 24:1271-7 (1982) [PubMed]  Article 
Target
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:
MPEAPPLLLAAVLLGLVLLVVLLLLLRHWGWGLCLIGWNEFILQPIHNLLMGDTKEQRILNHVLQHAEPGNAQSVLEAIDTYCEQKEWAMNVGDKKGKIVDAVIQEHQPSVLLELGAYCGYSAVRMARLLSPGARLITIEINPDCAAITQRMVDFAGVKDKVTLVVGASQDIIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEECGLLRKGTVLLADNVICPGAPDFLAHVRGSSCFECTHYQSFLEYREVVDGLEKAIYKGPGSEAGP
  
Inhibitor
Name:
BDBM50367028
Synonyms:
CHEMBL553200
Type:
Small organic molecule
Emp. Form.:
C14H22NO3S
Mol. Mass.:
284.394
SMILES:
COc1ccccc1CC[S+](C)CCC(N)C(O)=O
Structure:
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