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Literature summary for 1.14.13.9 extracted from

  • Liddle, J.; Beaufils, B.; Binnie, M.; Bouillot, A.; Denis, A.A.; Hann, M.M.; Haslam, C.P.; Holmes, D.S.; Hutchinson, J.P.; Kranz, M.; McBride, A.; Mirguet, O.; Mole, D.J.; Mowat, C.G.; Pal, S.; Rowland, P.; Trottet, L.; Uings, I.J.; Walker, A.L.; Webster, S.P.
    The discovery of potent and selective kynurenine 3-monooxygenase inhibitors for the treatment of acute pancreatitis (2017), Bioorg. Med. Chem. Lett., 27, 2023-2028 .
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
(6-chloro-1H-indazol-1-yl)acetic acid
-
Homo sapiens
2-amino-3-(6-chloro-1H-indazol-1-yl)propanoic acid
-
Homo sapiens
3-(1H-indazol-1-yl)propanoic acid
-
Homo sapiens
3-(5,6-dichloro-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid
-
Homo sapiens
3-(5-chloro-1,2-benzoxazol-3-yl)propanoic acid
-
Homo sapiens
3-(5-chloro-1H-indazol-1-yl)propanoic acid
-
Homo sapiens
3-(5-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid
-
Homo sapiens
3-(5-chloro-6-cyano-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid
-
Homo sapiens
3-(5-chloro-6-ethoxy-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid
-
Homo sapiens
3-(5-chloro-6-ethyl-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid
-
Homo sapiens
3-(5-chloro-6-methoxy-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid
-
Homo sapiens
3-(5-chloro-6-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid
-
Homo sapiens
3-(5-chloro-7-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid
-
Homo sapiens
3-(5-cyano-2-methylidene-1,3-benzoxazol-3(2H)-yl)propanoic acid
-
Homo sapiens
3-(5-methoxy-2-methylidene-1,3-benzoxazol-3(2H)-yl)propanoic acid
-
Homo sapiens
3-(6-bromo-1H-indazol-1-yl)propanoic acid
-
Homo sapiens
3-(6-chloro-1H-benzotriazol-1-yl)propanoic acid
-
Homo sapiens
3-(6-chloro-1H-indazol-1-yl)-2-hydroxypropanoic acid
-
Homo sapiens
3-(6-chloro-1H-indazol-1-yl)-2-methylpropanoic acid
-
Homo sapiens
3-(6-chloro-1H-indazol-1-yl)butanoic acid
-
Homo sapiens
3-(6-chloro-1H-indazol-1-yl)propanoic acid
-
Homo sapiens
3-(6-chloro-1H-indol-1-yl)propanoic acid
-
Homo sapiens
3-(6-chloro-3-methyl-1H-indazol-1-yl)propanoic acid
-
Homo sapiens
3-(6-chloro-3-oxo-3,4-dihydro-2H-1-benzopyran-4-yl)propanoic acid
-
Homo sapiens
3-(6-methyl-1H-indazol-1-yl)propanoic acid
-
Homo sapiens
3-[2-methylidene-5-(trifluoromethyl)-1,3-benzoxazol-3(2H)-yl]propanoic acid
-
Homo sapiens
3-[5-chloro-2-oxo-6-(propan-2-yl)-1,3-benzoxazol-3(2H)-yl]propanoic acid
-
Homo sapiens
3-[5-chloro-2-oxo-6-(trifluoromethyl)-1,3-benzoxazol-3(2H)-yl]propanoic acid
-
Homo sapiens
3-[5-chloro-2-oxo-6-[(propan-2-yl)oxy]-1,3-benzoxazol-3(2H)-yl]propanoic acid
-
Homo sapiens
3-[5-chloro-6-(cyclopropyloxy)-2-oxo-1,3-benzoxazol-3(2H)-yl]propanoic acid
-
Homo sapiens
4-(6-chloro-1H-indazol-1-yl)butanoic acid
-
Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
L-kynurenine + NADPH + H+ + O2 Homo sapiens the enzyme is involved in tryptophan catabolism 3-hydroxy-L-kynurenine + NADP+ + H2O
-
?

Organism

Organism UniProt Comment Textmining
Homo sapiens O15229
-
-

Source Tissue

Source Tissue Comment Organism Textmining
HEK-293 cell
-
Homo sapiens
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
L-kynurenine + NADPH + H+ + O2
-
Homo sapiens 3-hydroxy-L-kynurenine + NADP+ + H2O
-
?
L-kynurenine + NADPH + H+ + O2 the enzyme is involved in tryptophan catabolism Homo sapiens 3-hydroxy-L-kynurenine + NADP+ + H2O
-
?

Cofactor

Cofactor Comment Organism Structure
FAD flavoenzyme Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0000032
-
pH and temperature not specified in the publication Homo sapiens 3-[5-chloro-6-(cyclopropyloxy)-2-oxo-1,3-benzoxazol-3(2H)-yl]propanoic acid
0.000005
-
pH and temperature not specified in the publication Homo sapiens 3-(5-chloro-6-ethoxy-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid
0.0000063
-
pH and temperature not specified in the publication Homo sapiens 3-(5,6-dichloro-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid
0.00001
-
pH and temperature not specified in the publication Homo sapiens 3-(5-chloro-6-ethyl-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid
0.000013
-
pH and temperature not specified in the publication Homo sapiens 3-(5-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid
0.000013
-
pH and temperature not specified in the publication Homo sapiens 3-(5-chloro-6-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid
0.000013
-
pH and temperature not specified in the publication Homo sapiens 3-(5-chloro-6-methoxy-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid
0.000025
-
pH and temperature not specified in the publication Homo sapiens 3-(5-chloro-1,2-benzoxazol-3-yl)propanoic acid
0.0000398
-
pH and temperature not specified in the publication Homo sapiens 3-(6-bromo-1H-indazol-1-yl)propanoic acid
0.0000398
-
pH and temperature not specified in the publication Homo sapiens 3-[5-chloro-2-oxo-6-(trifluoromethyl)-1,3-benzoxazol-3(2H)-yl]propanoic acid
0.00005
-
pH and temperature not specified in the publication Homo sapiens 3-(6-chloro-1H-indazol-1-yl)propanoic acid
0.000063
-
pH and temperature not specified in the publication Homo sapiens 3-(5-chloro-7-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid
0.000079
-
pH and temperature not specified in the publication Homo sapiens 3-(6-chloro-3-oxo-3,4-dihydro-2H-1-benzopyran-4-yl)propanoic acid
0.000079
-
pH and temperature not specified in the publication Homo sapiens 3-[5-chloro-2-oxo-6-[(propan-2-yl)oxy]-1,3-benzoxazol-3(2H)-yl]propanoic acid
0.0001
-
pH and temperature not specified in the publication Homo sapiens (6-chloro-1H-indazol-1-yl)acetic acid
0.0001
-
pH and temperature not specified in the publication Homo sapiens 3-(5-chloro-6-cyano-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid
0.0001
-
pH and temperature not specified in the publication Homo sapiens 3-[5-chloro-2-oxo-6-(propan-2-yl)-1,3-benzoxazol-3(2H)-yl]propanoic acid
0.00013
-
pH and temperature not specified in the publication Homo sapiens 3-(6-chloro-1H-indol-1-yl)propanoic acid
0.0005
-
pH and temperature not specified in the publication Homo sapiens 3-(6-chloro-1H-benzotriazol-1-yl)propanoic acid
0.0006
-
pH and temperature not specified in the publication Homo sapiens 3-(6-chloro-1H-indazol-1-yl)-2-hydroxypropanoic acid
0.00063
-
pH and temperature not specified in the publication Homo sapiens 3-(5-cyano-2-methylidene-1,3-benzoxazol-3(2H)-yl)propanoic acid
0.001
-
pH and temperature not specified in the publication Homo sapiens 3-(5-chloro-1H-indazol-1-yl)propanoic acid
0.001
-
pH and temperature not specified in the publication Homo sapiens 3-(5-methoxy-2-methylidene-1,3-benzoxazol-3(2H)-yl)propanoic acid
0.002
-
pH and temperature not specified in the publication Homo sapiens 3-(6-chloro-3-methyl-1H-indazol-1-yl)propanoic acid
0.0025
-
pH and temperature not specified in the publication Homo sapiens 3-(6-chloro-1H-indazol-1-yl)-2-methylpropanoic acid
0.0025
-
pH and temperature not specified in the publication Homo sapiens 2-amino-3-(6-chloro-1H-indazol-1-yl)propanoic acid
0.003
-
pH and temperature not specified in the publication Homo sapiens 4-(6-chloro-1H-indazol-1-yl)butanoic acid
0.0032
-
pH and temperature not specified in the publication Homo sapiens 3-(6-methyl-1H-indazol-1-yl)propanoic acid
0.005
-
pH and temperature not specified in the publication Homo sapiens 3-(6-chloro-1H-indazol-1-yl)butanoic acid
0.005
-
pH and temperature not specified in the publication Homo sapiens 3-[2-methylidene-5-(trifluoromethyl)-1,3-benzoxazol-3(2H)-yl]propanoic acid
0.0063
-
pH and temperature not specified in the publication Homo sapiens 3-(1H-indazol-1-yl)propanoic acid

General Information

General Information Comment Organism
metabolism the enzyme is involved in tryptophan catabolism Homo sapiens