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Literature summary extracted from

  • Bakavoli, M.; Sadeghian, H.; Tabatabaei, Z.; Rezaei, E.; Rahimizadeh, M.; Nikpour, M.
    SAR comparative studies on pyrimido[4,5-b][1,4] benzothiazine derivatives as 15-lipoxygenase inhibitors, using ab initio calculations (2008), J. Mol. Model., 14, 471-478.
    View publication on PubMed

Inhibitors

EC Number Inhibitors Comment Organism Structure
1.13.11.33 2-(4-ethylpiperazin-1-yl)pyrimido[4,5-b][1,4]benzothiazine
-
Glycine max
1.13.11.33 2-(4-methylpiperazin-1-yl)pyrimido[4,5-b][1,4]benzothiazine
-
Glycine max
1.13.11.33 2-(4-methylpiperidin-1-yl)pyrimido[4,5-b][1,4]benzothiazine
-
Glycine max
1.13.11.33 2-(morpholin-4-yl)pyrimido[4,5-b][1,4]benzothiazine
-
Glycine max
1.13.11.33 2-(piperidin-1-yl)pyrimido[4,5-b][1,4]benzothiazine
-
Glycine max
1.13.11.33 2-(pyrrolidin-1-yl)pyrimido[4,5-b][1,4]benzothiazine
-
Glycine max
1.13.11.33 4-methyl-2-(4-ethylpiperazin-1-yl)pyrimido[4,5-b][1,4]benzothiazine
-
Glycine max
1.13.11.33 4-methyl-2-(4-methylpiperazin-1-yl)pyrimido[4,5-b][1,4]benzothiazine
-
Glycine max
1.13.11.33 4-methyl-2-(4-methylpiperidin-1-yl)pyrimido[4,5-b][1,4]benzothiazine
-
Glycine max
1.13.11.33 4-methyl-2-(morpholin-4-yl)pyrimido[4,5-b][1,4]benzothiazine
-
Glycine max
1.13.11.33 4-methyl-2-(piperidin-1-yl)pyrimido[4,5-b][1,4]benzothiazine
-
Glycine max
1.13.11.33 4-methyl-2-(pyrrolidin-1-yl)pyrimido[4,5-b][1,4]benzothiazine
-
Glycine max
1.13.11.33 additional information docking experiments and structure activity relationship, comparative studies, comparison with the crystal structure with PDB entry: 1IK3, EC 1.13.11.12, overview Glycine max

Organism

EC Number Organism UniProt Comment Textmining
1.13.11.33 Glycine max
-
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
1.13.11.33 linoleic acid + O2
-
Glycine max ?
-
?

Synonyms

EC Number Synonyms Comment Organism
1.13.11.33 15-lipoxygenase
-
Glycine max
1.13.11.33 15-LO
-
Glycine max
1.13.11.33 More cf. EC 1.13.11.12 Glycine max

Temperature Optimum [°C]

EC Number Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
1.13.11.33 20
-
assay at Glycine max

pH Optimum

EC Number pH Optimum Minimum pH Optimum Maximum Comment Organism
1.13.11.33 9
-
assay at Glycine max

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
1.13.11.33 additional information
-
additional information docking experiments and structure activity relationship comparative studies, estimated inhibition constants, calculated in autodock, overview Glycine max

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
1.13.11.33 0.018
-
pH 9.0, 20°C Glycine max 4-methyl-2-(4-methylpiperazin-1-yl)pyrimido[4,5-b][1,4]benzothiazine
1.13.11.33 0.036
-
pH 9.0, 20°C Glycine max 4-methyl-2-(4-ethylpiperazin-1-yl)pyrimido[4,5-b][1,4]benzothiazine
1.13.11.33 0.048
-
pH 9.0, 20°C Glycine max 4-methyl-2-(pyrrolidin-1-yl)pyrimido[4,5-b][1,4]benzothiazine
1.13.11.33 0.058
-
pH 9.0, 20°C Glycine max 4-methyl-2-(piperidin-1-yl)pyrimido[4,5-b][1,4]benzothiazine
1.13.11.33 0.058
-
pH 9.0, 20°C Glycine max 4-methyl-2-(morpholin-4-yl)pyrimido[4,5-b][1,4]benzothiazine
1.13.11.33 0.076
-
pH 9.0, 20°C Glycine max 4-methyl-2-(4-methylpiperidin-1-yl)pyrimido[4,5-b][1,4]benzothiazine
1.13.11.33 0.14
-
pH 9.0, 20°C Glycine max 2-(morpholin-4-yl)pyrimido[4,5-b][1,4]benzothiazine
1.13.11.33 0.146
-
pH 9.0, 20°C Glycine max 2-(piperidin-1-yl)pyrimido[4,5-b][1,4]benzothiazine
1.13.11.33 0.18
-
pH 9.0, 20°C Glycine max 2-(4-methylpiperidin-1-yl)pyrimido[4,5-b][1,4]benzothiazine
1.13.11.33 0.216
-
pH 9.0, 20°C Glycine max 2-(pyrrolidin-1-yl)pyrimido[4,5-b][1,4]benzothiazine
1.13.11.33 0.235
-
pH 9.0, 20°C Glycine max 2-(4-ethylpiperazin-1-yl)pyrimido[4,5-b][1,4]benzothiazine
1.13.11.33 0.267
-
pH 9.0, 20°C Glycine max 2-(4-methylpiperazin-1-yl)pyrimido[4,5-b][1,4]benzothiazine