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Literature summary extracted from

  • He, J.B.; He, H.F.; Zhao, L.L.; Zhang, L.; You, G.Y.; Feng, L.L.; Wan, J.; He, H.W.
    Synthesis and antifungal activity of 5-iodo-1,4-disubstituted-1,2,3-triazole derivatives as pyruvate dehydrogenase complex E1 inhibitors (2015), Bioorg. Med. Chem., 23, 1395-1401 .
    View publication on PubMed

Inhibitors

EC Number Inhibitors Comment Organism Structure
1.2.1.104 4-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-iodo-1H-1,2,3-triazol-4-yl)methoxy)benzonitrile exhibits very good enzyme-selective inhibition of PDH-E1 between pig heart and Escherichia coli and activity against Rhizoctonia solani and Botrytis cinerea even at 12.5 lg/ml Escherichia coli
1.2.1.104 5-((4-((4-bromophenoxy)methyl)-5-iodo-1H-1,2,3-triazol-1-yl)methyl)-2-methylpyrimidin-4-amine exhibits activity against Rhizoctonia solani and Botrytis cinerea even at 12.5 lg/ml Escherichia coli
1.2.1.104 5-((4-((4-chloro-3-methylphenoxy)methyl)-5-iodo-1H-1,2,3-triazol-1-yl)methyl)-2-methylpyrimidin-4-amine
-
 Escherichia coli
1.2.1.104 5-((4-((4-chlorophenoxy)methyl)-5-iodo-1H-1,2,3-triazol-1-yl)methyl)-2-methylpyrimidin-4-amine exhibits activity against Rhizoctonia solani even at 12.5 lg/ml and almost 5.5 times more inhibitory potency against Botryttis cinerea than pyrimethanil Escherichia coli
1.2.4.1 4-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-iodo-1H-1,2,3-triazol-4-yl)methoxy)benzonitrile exhibits very good enzyme-selective inhibition of PDH-E1 between pig heart and Escherichia coli and activity against Rhizoctonia solani and Botrytis cinerea even at 12.5 lg/ml Escherichia coli
1.2.4.1 5-((4-((4-bromophenoxy)methyl)-5-iodo-1H-1,2,3-triazol-1-yl)methyl)-2-methylpyrimidin-4-amine exhibits activity against Rhizoctonia solani and Botrytis cinerea even at 12.5 lg/ml Escherichia coli
1.2.4.1 5-((4-((4-chloro-3-methylphenoxy)methyl)-5-iodo-1H-1,2,3-triazol-1-yl)methyl)-2-methylpyrimidin-4-amine
-
 Escherichia coli
1.2.4.1 5-((4-((4-chlorophenoxy)methyl)-5-iodo-1H-1,2,3-triazol-1-yl)methyl)-2-methylpyrimidin-4-amine exhibits activity against Rhizoctonia solani even at 12.5 lg/ml and almost 5.5 times more inhibitory potency against Botryttis cinerea than pyrimethanil Escherichia coli

Localization

EC Number Localization Comment Organism GeneOntology No. Textmining

Organism

EC Number Organism UniProt Comment Textmining
1.2.1.104 Escherichia coli
-
-
-
1.2.4.1 Escherichia coli
-
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
1.2.1.104 pyruvate + CoA + oxidized 2,6-dichlorophenolindophenol
-
 Escherichia coli acetyl-CoA + CO2 + reduced 2,6-dichlorophenolindophenol
-
 ?
1.2.4.1 pyruvate + CoA + oxidized 2,6-dichlorophenolindophenol
-
 Escherichia coli acetyl-CoA + CO2 + reduced 2,6-dichlorophenolindophenol
-
 ?

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
1.2.1.104 0.0042
-
 isolated E1 component, pH 6.5, 37°C Escherichia coli 5-((4-((4-bromophenoxy)methyl)-5-iodo-1H-1,2,3-triazol-1-yl)methyl)-2-methylpyrimidin-4-amine
1.2.1.104 0.0051
-
 isolated E1 component, pH 6.5, 37°C Escherichia coli 5-((4-((4-chloro-3-methylphenoxy)methyl)-5-iodo-1H-1,2,3-triazol-1-yl)methyl)-2-methylpyrimidin-4-amine
1.2.1.104 0.0101
-
 isolated E1 component, pH 6.5, 37°C Escherichia coli 4-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-iodo-1H-1,2,3-triazol-4-yl)methoxy)benzonitrile
1.2.1.104 0.0118
-
 isolated E1 component, pH 6.5, 37°C Escherichia coli 5-((4-((4-chlorophenoxy)methyl)-5-iodo-1H-1,2,3-triazol-1-yl)methyl)-2-methylpyrimidin-4-amine
1.2.4.1 0.0042
-
 isolated E1 component, pH 6.5, 37°C Escherichia coli 5-((4-((4-bromophenoxy)methyl)-5-iodo-1H-1,2,3-triazol-1-yl)methyl)-2-methylpyrimidin-4-amine
1.2.4.1 0.0051
-
 isolated E1 component, pH 6.5, 37°C Escherichia coli 5-((4-((4-chloro-3-methylphenoxy)methyl)-5-iodo-1H-1,2,3-triazol-1-yl)methyl)-2-methylpyrimidin-4-amine
1.2.4.1 0.0101
-
 isolated E1 component, pH 6.5, 37°C Escherichia coli 4-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-iodo-1H-1,2,3-triazol-4-yl)methoxy)benzonitrile
1.2.4.1 0.0118
-
 isolated E1 component, pH 6.5, 37°C Escherichia coli 5-((4-((4-chlorophenoxy)methyl)-5-iodo-1H-1,2,3-triazol-1-yl)methyl)-2-methylpyrimidin-4-amine