Literature summary extracted from

Hutchinson, J.P.; Rowland, P.; Taylor, M.R.D.; Christodoulou, E.M.; Haslam, C.; Hobbs, C.I.; Holmes, D.S.; Homes, P.; Liddle, J.; Mole, D.J.; Uings, I.; Walker, A.L.; Webster, S.P.; Mowat, C.G.; Chung, C.W.
Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase (2017), Nat. Commun., 8, 15827 .

Application

EC Number	Application	Comment	Organism
1.14.13.9	medicine	inhibition of the enzyme shows benefit in neurodegenerative diseases such as Huntington's and Alzheimer's. It is a target for acute pancreatitis multiple organ dysfunction syndrome	Homo sapiens
1.14.13.9	medicine	inhibition of the enzyme shows benefit in neurodegenerative diseases such as Huntington's and Alzheimer's. It is a target for acute pancreatitis multiple organ dysfunction syndrome (AP-MODS)	Pseudomonas fluorescens

Inhibitors

EC Number	Inhibitors	Comment	Organism	Structure
1.14.13.9	GSK065	suitable for preclinical evaluation	Homo sapiens
1.14.13.9	GSK065	suitable for preclinical evaluation	Pseudomonas fluorescens
1.14.13.9	GSK366	suitable for preclinical evaluation	Homo sapiens
1.14.13.9	GSK366	suitable for preclinical evaluation	Pseudomonas fluorescens
1.14.13.9	GSK428	-	Homo sapiens
1.14.13.9	GSK428	-	Pseudomonas fluorescens
1.14.13.9	GSK775	-	Homo sapiens
1.14.13.9	GSK775	-	Pseudomonas fluorescens
1.14.13.9	GSK891	-	Homo sapiens
1.14.13.9	GSK891	-	Pseudomonas fluorescens
1.14.13.9	additional information	the molecular mechanism of action of three classes of inhibitors with differentiated binding modes and kinetics is reported. Two inhibitor classes trap the catalytic flavin in a tilting conformation. This correlates with picomolar affinities, increased residence times and an absence of the peroxide production	Homo sapiens
1.14.13.9	additional information	the molecular mechanism of action of three classes of inhibitors with differentiated binding modes and kinetics is reported. Two inhibitor classes trap the catalytic flavin in a tilting conformation. This correlates with picomolar affinities, increased residence times and an absence of the peroxide production	Pseudomonas fluorescens

Organism

EC Number	Organism	UniProt	Comment	Textmining
1.14.13.9	Homo sapiens	O15229	-	-
1.14.13.9	Pseudomonas fluorescens	Q84HF5	-	-

Cofactor

EC Number	Cofactor	Comment	Organism	Structure
1.14.13.9	FAD	flavoprotein	Pseudomonas fluorescens
1.14.13.9	FAD	flavoprotein	Homo sapiens

IC50 Value

EC Number	IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
1.14.13.9	0.0000007	-	pH 7.5, temperature not specified in the publication	Pseudomonas fluorescens	GSK366
1.14.13.9	0.0000023	-	pH 7.5, temperature not specified in the publication	Homo sapiens	GSK366
1.14.13.9	0.0000027	-	pH 7.5, temperature not specified in the publication	Homo sapiens	GSK775
1.14.13.9	0.000003	-	pH 7.5, temperature not specified in the publication	Pseudomonas fluorescens	GSK775
1.14.13.9	0.0000036	-	pH 7.5, temperature not specified in the publication	Homo sapiens	GSK891
1.14.13.9	0.0000043	-	pH 7.5, temperature not specified in the publication	Pseudomonas fluorescens	GSK891
1.14.13.9	0.00001	-	pH 7.5, temperature not specified in the publication	Homo sapiens	GSK428
1.14.13.9	0.00006	-	pH 7.5, temperature not specified in the publication	Pseudomonas fluorescens	GSK428

General Information

EC Number	General Information	Comment	Organism
1.14.13.9	drug target	inhibition of the enzyme shows benefit in neurodegenerative diseases such as Huntingtons and Alzheimers. It is a target for acute pancreatitis multiple organ dysfunction syndrome	Homo sapiens
1.14.13.9	metabolism	key enzyme of tryptophan metabolism	Pseudomonas fluorescens
1.14.13.9	metabolism	key enzyme of tryptophan metabolism	Homo sapiens

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Release 2023.1 (January 2023)