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Target
Catechol O-methyltransferase
Ligand
BDBM22111
Substrate
n/a
Meas. Tech.
ChEBML_47238
Ki
>5400000±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:
BDBM22111
Synonyms:
(2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methylsulfanyl)methyl]oxolane-3,4-diol | (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol | 5'-Methylthioado | 5-methylthioadenosine | CHEMBL277041 | MTA
Type:
Nucleoside or nucleotide
Emp. Form.:
C11H15N5O3S
Mol. Mass.:
297.334
SMILES:
CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Structure:
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