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Literature summary for 1.2.1.104 extracted from

  • Zhou, Y.; Feng, J.; He, H.; Hou, L.; Jiang, W.; Xie, D.; Feng, L.; Cai, M.; Peng, H.
    Design, synthesis, and potency of pyruvate dehydrogenase complex E1 inhibitors against cyanobacteria (2017), Biochemistry, 56, 6491-6502 .
    View publication on PubMed
Search for more literature for 1.2.1.104

Crystallization (Commentary)

Crystallization (Comment) Organism
molecular docking of inhibitors and crystallization in complex with inhibitor 3-([1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl)-6-bromoquinazolin-4(3H)-one Escherichia coli

Inhibitors

Inhibitors Comment Organism Structure
2-([1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-iodo-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl)-1H-isoindole-1,3(2H)-dione potent algaecidal activity against Synechocystis sp. PCC 6803 Escherichia coli
3-([1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl)-5-chloroquinazolin-4(3H)-one
-
 Escherichia coli
3-([1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl)-6-bromoquinazolin-4(3H)-one
-
 Escherichia coli
3-([1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-iodo-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl)-6-bromoquinazolin-4(3H)-one potent algaecidal activity against Synechocystis sp. PCC 6803 Escherichia coli
3-([1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-iodo-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl)-6-chloro-1,2,3-benzotriazin-4(3H)-one
-
 Escherichia coli

Organism

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

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00212
-
 pH 6.4, 37°C Escherichia coli 3-([1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl)-5-chloroquinazolin-4(3H)-one
0.00362
-
 pH 6.4, 37°C Escherichia coli 3-([1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-iodo-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl)-6-chloro-1,2,3-benzotriazin-4(3H)-one
0.0043
-
 pH 6.4, 37°C Escherichia coli 3-([1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl)-6-bromoquinazolin-4(3H)-one
0.0059
-
 pH 6.4, 37°C Escherichia coli 2-([1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-iodo-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl)-1H-isoindole-1,3(2H)-dione
8.21
-
 pH 6.4, 37°C Escherichia coli 3-([1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-iodo-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl)-6-bromoquinazolin-4(3H)-one