Literature summary for 1.14.13.9 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 .

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Application

Application	Comment	Organism
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
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

Inhibitors	Comment	Organism	Structure
GSK065	suitable for preclinical evaluation	Homo sapiens
GSK065	suitable for preclinical evaluation	Pseudomonas fluorescens
GSK366	suitable for preclinical evaluation	Homo sapiens
GSK366	suitable for preclinical evaluation	Pseudomonas fluorescens
GSK428	-	Homo sapiens
GSK428	-	Pseudomonas fluorescens
GSK775	-	Homo sapiens
GSK775	-	Pseudomonas fluorescens
GSK891	-	Homo sapiens
GSK891	-	Pseudomonas fluorescens
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
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

Organism	UniProt	Comment	Textmining
Homo sapiens	O15229	-	-
Pseudomonas fluorescens	Q84HF5	-	-

Cofactor

Cofactor	Comment	Organism	Structure
FAD	flavoprotein	Pseudomonas fluorescens
FAD	flavoprotein	Homo sapiens

IC50 Value

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

General Information

General Information	Comment	Organism
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
metabolism	key enzyme of tryptophan metabolism	Pseudomonas fluorescens
metabolism	key enzyme of tryptophan metabolism	Homo sapiens

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Release 2023.1 (January 2023)