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TargetCatechol O-methyltransferase
LigandBDBM50315222
Substrate/Competitorn/a
Meas. Tech.ChEMBL_625415 (CHEMBL1116964)
Ki 16.6±n/a nM
Citation Rautio, JLeppänen, JLehtonen, MLaine, KKoskinen, MPystynen, JSavolainen, JSairanen, M Design, synthesis and in vitro/in vivo evaluation of orally bioavailable prodrugs of a catechol-O-methyltransferase inhibitor. Bioorg Med Chem Lett20:2614-6 (2010) [PubMed]  Article
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:
BDBM50315222
n/a
NameBDBM50315222
Synonyms:1-(Butyryloxy)ethyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate | CHEMBL1091981
TypeSmall organic molecule
Emp. Form.C15H14ClNO8S
Mol. Mass.403.792
SMILESCCCC(=O)OC(C)OC(=O)c1sc2c(c(O)c(O)cc2c1Cl)[N+]([O-])=O
Structure
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