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Literature summary for 2.7.1.40 extracted from

  • Axerio-Cilies, P.; See, R.H.; Zoraghi, R.; Worral, L.; Lian, T.; Stoynov, N.; Jiang, J.; Kaur, S.; Jackson, L.; Gong, H.; Swayze, R.; Amandoron, E.; Kumar, N.S.; Moreau, A.; Hsing, M.; Strynadka, N.C.; McMaster, W.R.; Finlay, B.B.; Foster, L.J.; Young, R.N.; Reiner, N.E.; Cherkasov, A.
    Cheminformatics-driven discovery of selective, nanomolar inhibitors for staphylococcal pyruvate kinase (2012), ACS Chem. Biol., 7, 350-359.
    View publication on PubMed
Search for more literature for 2.7.1.40

Application

Application Comment Organism
drug development MRSA PK is a potentially attractive drug target Staphylococcus aureus

Inhibitors

Inhibitors Comment Organism Structure
(2-[(1E)-1-[2-(5-bromo-2-hydroxybenzoyl)hydrazinylidene]ethyl]-1-methyl-1H-indol-6-yl)dibromanium
-
 Staphylococcus aureus
2,4-dihydroxy-N'-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzo[b,d]furan-1-yl)methylidene]benzohydrazide
-
 Staphylococcus aureus
4-hydroxy-N'-(7-hydroxy-2,3-dihydro-8H-[1,4]dioxino[2,3-f]indol-8-yl)phthalazine-1-carbohydrazide
-
 Staphylococcus aureus
4-[(4-[3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl]phthalazin-1-yl)amino]-N-methylbenzamide
-
 Staphylococcus aureus
5-bromo-2-hydroxy-N'-[(1E)-1-(1-methyl-1H-indol-2-yl)ethylidene]benzohydrazide
-
 Staphylococcus aureus
5-bromo-2-hydroxy-N'-[(1E)-1-(1H-indol-2-yl)ethylidene]benzohydrazide
-
 Staphylococcus aureus
5-bromo-2-hydroxy-N'-[(1E)-1-(1H-indol-2-yl)propylidene]benzohydrazide
-
 Staphylococcus aureus
5-bromo-2-hydroxy-N'-[(3E)-5-methyl-2-methylidene-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide
-
 Staphylococcus aureus
5-bromo-N'-[(1E)-1-(2,4-dihydroxyphenyl)ethylidene]-2-hydroxybenzohydrazide
-
 Staphylococcus aureus
5-bromo-N'-[(1E)-1-(5,6-difluoro-1H-indol-2-yl)ethylidene]-2-hydroxybenzohydrazide
-
 Staphylococcus aureus
5-bromo-N'-[(1E)-1-(6-chloro-1-methyl-1H-indol-2-yl)ethylidene]-2-hydroxybenzohydrazide
-
 Staphylococcus aureus
5-bromo-N'-[(1E)-1-(6-fluoro-1-methyl-1H-indol-2-yl)ethylidene]-2-hydroxybenzohydrazide
-
 Staphylococcus aureus
5-bromo-N'-[(1E)-1-(6-fluoro-1H-indol-2-yl)ethylidene]-2-hydroxybenzohydrazide
-
 Staphylococcus aureus
5-bromo-N'-[(3E)-5-bromo-2-methylidene-1,2-dihydro-3H-indol-3-ylidene]-2-hydroxybenzohydrazide
-
 Staphylococcus aureus
additional information development of highly potent inhibitors which demonstrate complete selectivity for the bacterial enzyme compared to all human orthologues, molecular docking, overview Staphylococcus aureus
N'-[(1E)-1-(1H-benzimidazol-2-yl)ethylidene]-5-bromo-2-hydroxybenzohydrazide
-
 Staphylococcus aureus
N'-[(1E)-1-(2,4-dihydroxyphenyl)ethylidene]-3-(5,6-dimethyl-1,3-dihydro-2H-isoindol-2-yl)benzohydrazide
-
 Staphylococcus aureus
N'-[(3E)-5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-3-hydroxybenzohydrazide
-
 Staphylococcus aureus
N'-[(3Z)-1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-3-hydroxynaphthalene-2-carbohydrazide
-
 Staphylococcus aureus
N-(4-methylphenyl)-2-[(4-sulfamoylphenyl)amino]pyridine-3-carboxamide
-
 Staphylococcus aureus

Metals/Ions

Metals/Ions Comment Organism Structure
Mg2+ required Staphylococcus aureus

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
ATP + pyruvate Staphylococcus aureus
-
 ADP + phosphoenolpyruvate
-
 ?

Organism

Organism UniProt Comment Textmining
Staphylococcus aureus
-
 a methicillin-resistant strain
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
ATP + pyruvate
-
 Staphylococcus aureus ADP + phosphoenolpyruvate
-
 ?

Subunits

Subunits Comment Organism
tetramer structure-based molecular modeling and crystal structure analysis, overview Staphylococcus aureus

Synonyms

Synonyms Comment Organism
MRSA PK
-
 Staphylococcus aureus

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
30
-
 assay at Staphylococcus aureus

Cofactor

Cofactor Comment Organism Structure
ATP
-
 Staphylococcus aureus

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.000016
-
 pH not specified in the publication, 30°C Staphylococcus aureus 5-bromo-N'-[(1E)-1-(5,6-difluoro-1H-indol-2-yl)ethylidene]-2-hydroxybenzohydrazide
0.000045
-
 pH not specified in the publication, 30°C Staphylococcus aureus 5-bromo-N'-[(1E)-1-(6-fluoro-1H-indol-2-yl)ethylidene]-2-hydroxybenzohydrazide
0.000084
-
 pH not specified in the publication, 30°C Staphylococcus aureus 5-bromo-2-hydroxy-N'-[(1E)-1-(1H-indol-2-yl)ethylidene]benzohydrazide
0.000091
-
 pH not specified in the publication, 30°C Staphylococcus aureus N'-[(1E)-1-(1H-benzimidazol-2-yl)ethylidene]-5-bromo-2-hydroxybenzohydrazide
0.000114
-
 pH not specified in the publication, 30°C Staphylococcus aureus 5-bromo-2-hydroxy-N'-[(1E)-1-(1H-indol-2-yl)propylidene]benzohydrazide
0.000165
-
 pH not specified in the publication, 30°C Staphylococcus aureus 5-bromo-N'-[(1E)-1-(6-fluoro-1-methyl-1H-indol-2-yl)ethylidene]-2-hydroxybenzohydrazide
0.000185
-
 pH not specified in the publication, 30°C Staphylococcus aureus (2-[(1E)-1-[2-(5-bromo-2-hydroxybenzoyl)hydrazinylidene]ethyl]-1-methyl-1H-indol-6-yl)dibromanium
0.000228
-
 pH not specified in the publication, 30°C Staphylococcus aureus 5-bromo-N'-[(1E)-1-(6-chloro-1-methyl-1H-indol-2-yl)ethylidene]-2-hydroxybenzohydrazide
0.000381
-
 pH not specified in the publication, 30°C Staphylococcus aureus 5-bromo-2-hydroxy-N'-[(1E)-1-(1-methyl-1H-indol-2-yl)ethylidene]benzohydrazide
0.00091
-
 pH not specified in the publication, 30°C Staphylococcus aureus N'-[(3Z)-1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-3-hydroxynaphthalene-2-carbohydrazide

General Information

General Information Comment Organism
metabolism pyruvate kinase is a critical protein catalyzing the final step of glycolysis, which involves the transfer of a phosphoryl group from phosphoenolpyruvate to ADP, producing pyruvate and ATP Staphylococcus aureus