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Literature summary extracted from

  • Robinson, R.G.; Smith, S.M.; Wolkenberg, S.E.; Kandebo, M.; Yao, L.; Gibson, C.R.; Harrison, S.T.; Polsky-Fisher, S.; Barrow, J.C.; Manley, P.J.; Mulhearn, J.J.; Nanda, K.K.; Schubert, J.W.; Trotter, B.W.; Zhao, Z.; Sanders, J.M.; Smith, R.F.; McLoughlin, D.; Sharma, S.; Hall, D.L.; Walker, T.L.; Kershner, J.L.; , B.
    Characterization of non-nitrocatechol pan and isoform specific catechol-O-methyltransferase inhibitors and substrates (2012), ACS Chem. Neurosci., 3, 129-140.
    View publication on PubMedView publication on EuropePMC

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.1.1.6 1-[1-(2-chlorobenzyl)-1H-benzimidazol-4-yl]-3-hydroxypyridin-4(1H)-one
-
Homo sapiens
2.1.1.6 1-[1-(2-chlorobenzyl)-1H-benzimidazol-4-yl]-3-hydroxypyridin-4(1H)-one
-
Rattus norvegicus
2.1.1.6 1-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4(1H)-one
-
Homo sapiens
2.1.1.6 1-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4(1H)-one
-
Rattus norvegicus
2.1.1.6 5-hydroxy-1-[3-(isoquinolin-4-yl)phenyl]-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4(1H)-one
-
Homo sapiens
2.1.1.6 5-hydroxy-1-[3-(isoquinolin-4-yl)phenyl]-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4(1H)-one
-
Rattus norvegicus
2.1.1.6 tolcapone inhibitor of isoform MB-COMT, substrate of isoform S-COMT Homo sapiens

Localization

EC Number Localization Comment Organism GeneOntology No. Textmining
2.1.1.6 membrane isoform MB-COMT Homo sapiens 16020
-
2.1.1.6 membrane isoform MB-COMT Rattus norvegicus 16020
-
2.1.1.6 soluble isoform S-COMT Homo sapiens
-
-
2.1.1.6 soluble isoform S-COMT Rattus norvegicus
-
-

Organism

EC Number Organism UniProt Comment Textmining
2.1.1.6 Homo sapiens
-
-
-
2.1.1.6 Rattus norvegicus
-
-
-

Source Tissue

EC Number Source Tissue Comment Organism Textmining
2.1.1.6 brain membrane-bound isoform MB-COMT is predominant Homo sapiens
-
2.1.1.6 brain membrane-bound isoform MB-COMT is predominant Rattus norvegicus
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2.1.1.6 tolcapone + S-adenosyl-L-methionine inhibitor of isoform MB-COMT, substrate of isoform S-COMT Homo sapiens S-adenosyl-L-homocysteine + ?
-
?
2.1.1.6 tolcapone + S-adenosyl-L-methionine substrate of both isoform S-COMT and isoform MB-COMT Rattus norvegicus S-adenosyl-L-homocysteine + ?
-
?

Synonyms

EC Number Synonyms Comment Organism
2.1.1.6 MB-COMT
-
Homo sapiens
2.1.1.6 MB-COMT
-
Rattus norvegicus

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
2.1.1.6 0.0000067
-
isoform MB-COMT, pH 7.4, 37°C Homo sapiens tolcapone
2.1.1.6 0.000013
-
isoform MB-COMT, pH 7.4, 37°C Rattus norvegicus 5-hydroxy-1-[3-(isoquinolin-4-yl)phenyl]-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4(1H)-one
2.1.1.6 0.0000265
-
isoform MB-COMT, pH 7.4, 37°C Rattus norvegicus 1-[1-(2-chlorobenzyl)-1H-benzimidazol-4-yl]-3-hydroxypyridin-4(1H)-one
2.1.1.6 0.0000274
-
isoform MB-COMT, pH 7.4, 37°C Rattus norvegicus 1-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4(1H)-one
2.1.1.6 0.000039
-
isoform MB-COMT, pH 7.4, 37°C Homo sapiens 1-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4(1H)-one
2.1.1.6 0.0000449
-
isoform MB-COMT, pH 7.4, 37°C Homo sapiens 1-[1-(2-chlorobenzyl)-1H-benzimidazol-4-yl]-3-hydroxypyridin-4(1H)-one
2.1.1.6 0.000063
-
isoform MB-COMT, pH 7.4, 37°C Homo sapiens 5-hydroxy-1-[3-(isoquinolin-4-yl)phenyl]-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4(1H)-one
2.1.1.6 0.000175
-
isoform S-COMT, pH 7.4, 37°C Homo sapiens 5-hydroxy-1-[3-(isoquinolin-4-yl)phenyl]-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4(1H)-one
2.1.1.6 0.000226
-
isoform S-COMT, pH 7.4, 37°C Homo sapiens 1-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4(1H)-one
2.1.1.6 0.000237
-
isoform S-COMT, pH 7.4, 37°C Rattus norvegicus 1-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4(1H)-one
2.1.1.6 0.000565
-
isoform S-COMT, pH 7.4, 37°C Rattus norvegicus 5-hydroxy-1-[3-(isoquinolin-4-yl)phenyl]-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4(1H)-one
2.1.1.6 0.000857
-
isoform S-COMT, pH 7.4, 37°C Homo sapiens 1-[1-(2-chlorobenzyl)-1H-benzimidazol-4-yl]-3-hydroxypyridin-4(1H)-one
2.1.1.6 0.000881
-
isoform S-COMT, pH 7.4, 37°C Rattus norvegicus 1-[1-(2-chlorobenzyl)-1H-benzimidazol-4-yl]-3-hydroxypyridin-4(1H)-one