Literature summary for 1.2.1.104 extracted from

Feng, L.; He, J.; He, H.; Zhao, L.; Deng, L.; Zhang, L.; Zhang, L.; Ren, Y.; Wan, J.; He, H.
The design, synthesis and biological evaluation of novel thiamin diphosphate analog inhibitors against the pyruvate dehydrogenase multienzyme complex E1 from Escherichia coli (2014), Org. Biomol. Chem., 12, 8911-8918 .

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Inhibitors

Inhibitors	Comment	Organism	Structure
1-(4-bromophenyl)ethanone O-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-1H-1,2,3-triazol-4-yl)methyl)oxime	thiamine diphosphate analog, at 0.1 mM 33% inhibition against Gibberlla zeae	Escherichia coli
1-(4-chlorophenyl)ethanone O-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-1H-1,2,3-triazol-4-yl)methyl)oxime	thiamine diphosphate analog, at 0.1 mM 35% inhibition against Gibberlla zeae	Escherichia coli
1-(4-nitrophenyl)ethanone O-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-1H-1,2,3-triazol-4-yl)methyl)oxime	thiamine diphosphate analog, at 0.1 mM 50% inhibition against Gibberlla zeae	Escherichia coli

Organism

Organism	UniProt	Comment	Textmining
Escherichia coli	P0AFG8	E1 component, cf. EC 1.2.4.1	-

Synonyms

Synonyms	Comment	Organism
aceE	-	Escherichia coli

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.0061	-	pH 6.4, 37°C	Escherichia coli	1-(4-bromophenyl)ethanone O-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-1H-1,2,3-triazol-4-yl)methyl)oxime
0.0067	-	pH 6.4, 37°C	Escherichia coli	1-(4-nitrophenyl)ethanone O-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-1H-1,2,3-triazol-4-yl)methyl)oxime
0.0069	-	pH 6.4, 37°C	Escherichia coli	1-(4-bromophenyl)ethanone O-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-1H-1,2,3-triazol-4-yl)methyl)oxime

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Release 2023.1 (January 2023)