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Literature summary for 2.7.1.105 extracted from

  • Brooke, D.G.; van Dam, E.M.; Watts, C.K.; Khoury, A.; Dziadek, M.A.; Brooks, H.; Graham, L.J.; Flanagan, J.U.; Denny, W.A.
    Targeting the Warburg Effect in cancer; relationships for 2-arylpyridazinones as inhibitors of the key glycolytic enzyme 6-phosphofructo-2-kinase/2,6-bisphosphatase 3 (PFKFB3) (2014), Bioorg. Med. Chem., 22, 1029-1039.
    View publication on PubMed
Search for more literature for 2.7.1.105

Cloned(Commentary)

Cloned (Comment) Organism
gene PFKFB3, recombinant expression of GST-tagged isozyme PFKFB3 in Escherichia coli strain BL21(DE3) Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
(2E)-1-(pyridin-4-yl)-3-(quinolin-2-yl)prop-2-en-1-one
-
 Homo sapiens
(2E)-3-(pyridin-3-yl)-1-(pyridin-4-yl)prop-2-en-1-one
-
 Homo sapiens
2-((5-bromo-6-oxo-1-phenyl-1,6-dihydropyridazin-4-yl)amino)acetamide
-
 Homo sapiens
2-(5-bromo-6-oxo-1-phenyl-1,6-dihydropyridazin-4-yl)-1,2,3,4-tetrahydroisoquinoline-5-carbonitrile
-
 Homo sapiens
2-hydroxy-4-[(naphthalen-1-ylsulfonyl)amino]benzoic acid
-
 Homo sapiens
3H-benzo[e]indol-2-yl(pyridin-4-yl)methanone
-
 Homo sapiens
4-(4-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-5-bromo-6-oxopyridazin-1(6H)-yl)benzonitrile
-
 Homo sapiens
4-bromo-2-phenyl-5-(((tetrahydrofuran-2-yl)methyl)amino)pyridazin-3(2H)-one
-
 Homo sapiens
4-bromo-2-phenyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridazin-3(2H)-one
-
 Homo sapiens
4-bromo-5-morpholino-2-phenylpyridazin-3(2H)-one
-
 Homo sapiens
5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
-
 Homo sapiens
5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-2-benzyl-4-bromopyridazin-3(2H)-one
-
 Homo sapiens
5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-2-benzylpyridazin-3(2H)-one
-
 Homo sapiens
5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-4-bromo-2-(3-phenylpropyl)pyridazin-3(2H)-one
-
 Homo sapiens
5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-4-bromo-2-(4-((2-(dimethylamino)ethyl)-amino)benzyl)pyridazin-3(2H)-one
-
 Homo sapiens
5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-4-bromo-2-(4-(trifluoromethoxy)phenyl)-pyridazin-3(2H)-one
-
 Homo sapiens
5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-4-bromo-2-(4-chlorophenyl)pyridazin-3(2H)-one
-
 Homo sapiens
5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-4-bromo-2-(4-iodobenzyl)pyridazin-3(2H)-one
-
 Homo sapiens
5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-4-bromo-2-(pyrimidin-5-yl)pyridazin-3(2H)-one
-
 Homo sapiens
5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-4-bromo-2-phenethylpyridazin-3(2H)-one
-
 Homo sapiens
5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-4-bromo-2-phenylpyridazin-3(2H)-one
-
 Homo sapiens
5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-4-chloro-2-phenylpyridazin-3(2H)-one
-
 Homo sapiens
5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-4-ethoxy-2-phenylpyridazin-3(2H)-one
-
 Homo sapiens
5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-4-iodo-2-phenylpyridazin-3(2H)-one
-
 Homo sapiens
5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-4-isopropyl-2-phenylpyridazin-3(2H)-one
-
 Homo sapiens
7,8-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
-
 Homo sapiens
ethyl 1-(6-oxo-1-phenyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,6-dihydropyridazin-4-yl)-1H-1,2,3-triazole-4-carboxylate
-
 Homo sapiens
additional information enzyme structure-activity relationships, screening of a small-molecule library, and design and synthesis of 5-triazolo-2-arylpyridazinone analogus inhibitors, molecular docking using the X-ray structure for human PFKFB3, PDB ID 2AXN, overview Homo sapiens

Metals/Ions

Metals/Ions Comment Organism Structure
Mg2+ required Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
ATP + beta-D-fructose 6-phosphate Homo sapiens
-
 ADP + beta-D-fructose 2,6-bisphosphate
-
 ?

Organism

Organism UniProt Comment Textmining
Homo sapiens Q16875 gene/isozyme PFKFB3
-

Purification (Commentary)

Purification (Comment) Organism
recombinant GST-tagged isozyme PFKFB3 from Escherichia coli strain BL21(DE3) by glutathione affinity chromatography Homo sapiens

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
ATP + beta-D-fructose 6-phosphate
-
 Homo sapiens ADP + beta-D-fructose 2,6-bisphosphate
-
 ?

Synonyms

Synonyms Comment Organism
6-phosphofructo-2-kinase/2,6-bisphosphatase 3
-
 Homo sapiens
PFKFB3
-
 Homo sapiens

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
30
-
 assay at Homo sapiens

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
7.5
-
 assay at Homo sapiens

Cofactor

Cofactor Comment Organism Structure
ATP
-
 Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0026
-
 pH 7.5, 30°C, recombinant GST-tagged enzyme Homo sapiens 5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-4-bromo-2-phenethylpyridazin-3(2H)-one
0.0034
-
 pH 7.5, 30°C, recombinant GST-tagged enzyme Homo sapiens 5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-2-benzyl-4-bromopyridazin-3(2H)-one
0.007
-
 pH 7.5, 30°C, recombinant GST-tagged enzyme Homo sapiens 5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-4-bromo-2-(4-chlorophenyl)pyridazin-3(2H)-one
0.0074
-
 pH 7.5, 30°C, recombinant GST-tagged enzyme Homo sapiens 5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-4-bromo-2-phenylpyridazin-3(2H)-one
0.0084
-
 pH 7.5, 30°C, recombinant GST-tagged enzyme Homo sapiens 4-(4-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-5-bromo-6-oxopyridazin-1(6H)-yl)benzonitrile
0.0087
-
 pH 7.5, 30°C, recombinant GST-tagged enzyme Homo sapiens 5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-4-bromo-2-(4-iodobenzyl)pyridazin-3(2H)-one
0.0091
-
 pH 7.5, 30°C, recombinant GST-tagged enzyme Homo sapiens 5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-4-bromo-2-(4-(trifluoromethoxy)phenyl)-pyridazin-3(2H)-one
0.0096
-
 pH 7.5, 30°C, recombinant GST-tagged enzyme Homo sapiens 5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-4-bromo-2-(pyrimidin-5-yl)pyridazin-3(2H)-one
0.011
-
 pH 7.5, 30°C, recombinant GST-tagged enzyme Homo sapiens 5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-4-bromo-2-(3-phenylpropyl)pyridazin-3(2H)-one
0.013
-
 pH 7.5, 30°C, recombinant GST-tagged enzyme Homo sapiens 5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-4-iodo-2-phenylpyridazin-3(2H)-one
0.026
-
 pH 7.5, 30°C, recombinant GST-tagged enzyme Homo sapiens 5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-4-chloro-2-phenylpyridazin-3(2H)-one
0.026
-
 pH 7.5, 30°C, recombinant GST-tagged enzyme Homo sapiens (2E)-3-(pyridin-3-yl)-1-(pyridin-4-yl)prop-2-en-1-one
0.027
-
 pH 7.5, 30°C, recombinant GST-tagged enzyme Homo sapiens 2-hydroxy-4-[(naphthalen-1-ylsulfonyl)amino]benzoic acid
0.055
-
 pH 7.5, 30°C, recombinant GST-tagged enzyme Homo sapiens ethyl 1-(6-oxo-1-phenyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,6-dihydropyridazin-4-yl)-1H-1,2,3-triazole-4-carboxylate
0.5
-
 pH 7.5, 30°C, recombinant GST-tagged enzyme Homo sapiens 2-(5-bromo-6-oxo-1-phenyl-1,6-dihydropyridazin-4-yl)-1,2,3,4-tetrahydroisoquinoline-5-carbonitrile
0.5
-
 pH 7.5, 30°C, recombinant GST-tagged enzyme Homo sapiens 5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-4-isopropyl-2-phenylpyridazin-3(2H)-one
0.5
-
 pH 7.5, 30°C, recombinant GST-tagged enzyme Homo sapiens 5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-4-bromo-2-(4-((2-(dimethylamino)ethyl)-amino)benzyl)pyridazin-3(2H)-one
1
-
 above, pH 7.5, 30°C, recombinant GST-tagged enzyme Homo sapiens 4-bromo-5-morpholino-2-phenylpyridazin-3(2H)-one
1
-
 above, pH 7.5, 30°C, recombinant GST-tagged enzyme Homo sapiens 4-bromo-2-phenyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridazin-3(2H)-one
1
-
 above, pH 7.5, 30°C, recombinant GST-tagged enzyme Homo sapiens 2-((5-bromo-6-oxo-1-phenyl-1,6-dihydropyridazin-4-yl)amino)acetamide
1
-
 above, pH 7.5, 30°C, recombinant GST-tagged enzyme Homo sapiens 4-bromo-2-phenyl-5-(((tetrahydrofuran-2-yl)methyl)amino)pyridazin-3(2H)-one
1
-
 above, pH 7.5, 30°C, recombinant GST-tagged enzyme Homo sapiens 5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-4-ethoxy-2-phenylpyridazin-3(2H)-one
1
-
 above, pH 7.5, 30°C, recombinant GST-tagged enzyme Homo sapiens 3H-benzo[e]indol-2-yl(pyridin-4-yl)methanone
10
-
 above, pH 7.5, 30°C, recombinant GST-tagged enzyme Homo sapiens 5-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-2-benzylpyridazin-3(2H)-one

General Information

General Information Comment Organism
metabolism cancer cells use control of PFKFB3 of the important glycolytic pathway to generate ATP Homo sapiens