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Literature summary for 2.2.1.6 extracted from

  • He, Y.Z.; Li, Y.X.; Zhu, X.L.; Xi, Z.; Niu, C.; Wan, J.; Zhang, L.; Yang, G.F.
    Rational design based on bioactive conformation analysis of pyrimidinylbenzoates as acetohydroxyacid synthase inhibitors by integrating molecular docking, CoMFA, CoMSIA, and DFT calculations (2007), J. Chem. Inf. Model., 47, 2335-2344.
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
2,3-dichloro-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
-
Saccharomyces cerevisiae
2-(1,1-dihydroxyethyl)-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
-
Saccharomyces cerevisiae
2-(2-bromobenzyl)-8-[(4,6-dimethoxypyrimidin-2-yl)oxy]-4-methylphthalazin-1(2H)-one
-
Saccharomyces cerevisiae
2-(2-chlorobenzyl)-8-[(4,6-dimethoxypyrimidin-2-yl)oxy]-4-methylphthalazin-1(2H)-one
-
Saccharomyces cerevisiae
2-(3-chlorobenzyl)-8-[(4,6-dimethoxypyrimidin-2-yl)oxy]-4-methylphthalazin-1(2H)-one
-
Saccharomyces cerevisiae
2-(4-chlorobenzyl)-8-[(4,6-dimethoxypyrimidin-2-yl)oxy]-4-methylphthalazin-1(2H)-one
-
Saccharomyces cerevisiae
2-(difluoromethoxy)-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
-
Saccharomyces cerevisiae
2-acetyl-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
-
Saccharomyces cerevisiae
2-acetyl-6-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]benzoic acid
-
Saccharomyces cerevisiae
2-amino-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
-
Saccharomyces cerevisiae
2-bromo-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
-
Saccharomyces cerevisiae
2-bromo-6-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]benzoic acid
-
Saccharomyces cerevisiae
2-butoxy-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
-
Saccharomyces cerevisiae
2-butyl-8-[(4,6-dimethoxypyrimidin-2-yl)oxy]-4-methylphthalazin-1(2H)-one
-
Saccharomyces cerevisiae
2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
-
Saccharomyces cerevisiae
2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]benzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-3-fluorobenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-3-methylbenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-5-(methylsulfanyl)benzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-5-ethylbenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-5-ethynylbenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-5-fluorobenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-5-hydroxybenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-5-iodobenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-5-methoxybenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-5-methylbenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-5-nitrobenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-(1-methylethoxy)benzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-(1H-pyrrol-1-yl)benzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-(ethylsulfanyl)benzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-(methylsulfanyl)benzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-(methylsulfonyl)benzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-(phenylcarbonyl)benzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-(propylsulfanyl)benzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-(trifluoromethoxy)benzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-ethoxybenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-ethylbenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-fluorobenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-iodobenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-methoxybenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-methylbenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-nitrobenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-phenoxybenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-propoxybenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-propylbenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-(1-methylethoxy)benzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-(ethylsulfanyl)benzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-(methylsulfanyl)benzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-(phenylcarbonyl)benzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-(propylsulfanyl)benzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-(trifluoromethyl)benzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-ethoxybenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-fluorobenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-iodobenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-methoxybenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-methylbenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-nitrobenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-phenoxybenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-propoxybenzoic acid
-
Saccharomyces cerevisiae
2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]benzoic acid
-
Saccharomyces cerevisiae
3-[(4,6-dimethoxypyrimidin-2-yl)oxy]biphenyl-2-carboxylic acid
-
Saccharomyces cerevisiae
5-amino-2-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
-
Saccharomyces cerevisiae
5-benzyl-2-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
-
Saccharomyces cerevisiae
5-bromo-2-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
-
Saccharomyces cerevisiae
5-chloro-2-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
-
Saccharomyces cerevisiae
5-cyano-2-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
-
Saccharomyces cerevisiae
8-[(4,6-dimethoxypyrimidin-2-yl)oxy]-4-methylphthalazin-1(2H)-one
-
Saccharomyces cerevisiae
chlorimuron ethyl
-
Saccharomyces cerevisiae
additional information molecular docking of inhibitor molecules to the enzyme crystal structure, 3D-QSAR modeling, overview Saccharomyces cerevisiae

Organism

Organism UniProt Comment Textmining
Saccharomyces cerevisiae P07342
-
-

Synonyms

Synonyms Comment Organism
acetohydroxyacid synthase
-
Saccharomyces cerevisiae
AHAS
-
Saccharomyces cerevisiae

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
additional information
-
additional information
-
Saccharomyces cerevisiae
2.03
-
2-(4-chlorobenzyl)-8-[(4,6-dimethoxypyrimidin-2-yl)oxy]-4-methylphthalazin-1(2H)-one
-
Saccharomyces cerevisiae
2.1
-
2-(2-chlorobenzyl)-8-[(4,6-dimethoxypyrimidin-2-yl)oxy]-4-methylphthalazin-1(2H)-one
-
Saccharomyces cerevisiae
2.16
-
2-(3-chlorobenzyl)-8-[(4,6-dimethoxypyrimidin-2-yl)oxy]-4-methylphthalazin-1(2H)-one
-
Saccharomyces cerevisiae
3.62
-
2-(2-bromobenzyl)-8-[(4,6-dimethoxypyrimidin-2-yl)oxy]-4-methylphthalazin-1(2H)-one
-
Saccharomyces cerevisiae
4.41
-
2-butyl-8-[(4,6-dimethoxypyrimidin-2-yl)oxy]-4-methylphthalazin-1(2H)-one
-
Saccharomyces cerevisiae
7.89
-
8-[(4,6-dimethoxypyrimidin-2-yl)oxy]-4-methylphthalazin-1(2H)-one
-
Saccharomyces cerevisiae

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00358
-
-
Saccharomyces cerevisiae 5-benzyl-2-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
0.00371
-
-
Saccharomyces cerevisiae 5-cyano-2-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
0.0039
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-5-nitrobenzoic acid
0.00432
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-5-(methylsulfanyl)benzoic acid
0.0045
-
-
Saccharomyces cerevisiae 5-bromo-2-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
0.00459
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-5-ethylbenzoic acid
0.0046
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-5-methoxybenzoic acid
0.0047
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-5-ethynylbenzoic acid
0.00488
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-(1-methylethoxy)benzoic acid
0.00503
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-5-methylbenzoic acid
0.00505
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-5-iodobenzoic acid
0.00519
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-(phenylcarbonyl)benzoic acid
0.00535
-
-
Saccharomyces cerevisiae 5-chloro-2-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
0.00539
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-3-methylbenzoic acid
0.0056
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-phenoxybenzoic acid
0.00567
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-(phenylcarbonyl)benzoic acid
0.00568
-
-
Saccharomyces cerevisiae 2-(1,1-dihydroxyethyl)-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
0.00572
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-(propylsulfanyl)benzoic acid
0.00573
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-(1-methylethoxy)benzoic acid
0.00587
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-(methylsulfonyl)benzoic acid
0.00589
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-propylbenzoic acid
0.00602
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-(trifluoromethyl)benzoic acid
0.00603
-
-
Saccharomyces cerevisiae 2,3-dichloro-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
0.00609
-
-
Saccharomyces cerevisiae 5-amino-2-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
0.00614
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-propoxybenzoic acid
0.00621
-
-
Saccharomyces cerevisiae 2-butoxy-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
0.00624
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-propoxybenzoic acid
0.00627
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-5-fluorobenzoic acid
0.00629
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-(propylsulfanyl)benzoic acid
0.00633
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-3-fluorobenzoic acid
0.00657
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-ethylbenzoic acid
0.00664
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-nitrobenzoic acid
0.00664
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
0.00667
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-(ethylsulfanyl)benzoic acid
0.00669
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-nitrobenzoic acid
0.0067
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-ethoxybenzoic acid
0.0068
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]benzoic acid
0.00684
-
-
Saccharomyces cerevisiae 2-acetyl-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
0.00689
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-methylbenzoic acid
0.00696
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-(trifluoromethoxy)benzoic acid
0.00699
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-iodobenzoic acid
0.007
-
-
Saccharomyces cerevisiae 2-amino-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
0.00705
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-ethoxybenzoic acid
0.00705
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-methoxybenzoic acid
0.00711
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-(ethylsulfanyl)benzoic acid
0.00714
-
-
Saccharomyces cerevisiae 2-acetyl-6-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]benzoic acid
0.00719
-
-
Saccharomyces cerevisiae 2-(difluoromethoxy)-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
0.0072
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-5-hydroxybenzoic acid
0.0073
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-fluorobenzoic acid
0.00736
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-methoxybenzoic acid
0.0074
-
-
Saccharomyces cerevisiae 2-bromo-6-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]benzoic acid
0.00749
-
-
Saccharomyces cerevisiae 2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]benzoic acid
0.00753
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-methylbenzoic acid
0.00757
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-(methylsulfanyl)benzoic acid
0.00762
-
-
Saccharomyces cerevisiae 2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
0.00766
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-iodobenzoic acid
0.00767
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-fluorobenzoic acid
0.00768
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-(methylsulfanyl)benzoic acid
0.0077
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-phenoxybenzoic acid
0.0078
-
-
Saccharomyces cerevisiae 3-[(4,6-dimethoxypyrimidin-2-yl)oxy]biphenyl-2-carboxylic acid
0.00782
-
-
Saccharomyces cerevisiae 2-bromo-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
0.00828
-
-
Saccharomyces cerevisiae 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-(1H-pyrrol-1-yl)benzoic acid