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Literature summary extracted from

  • Zhao, Y.; Hammoudeh, D.; Yun, M.K.; Qi, J.; White, S.W.; Lee, R.E.
    Structure-based design of novel pyrimido[4,5-c]pyridazine derivatives as dihydropteroate synthase inhibitors with increased affinity (2012), ChemMedChem, 7, 861-870.
    View publication on PubMedView publication on EuropePMC

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.5.1.15 (7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acid
-
 Bacillus anthracis
2.5.1.15 (7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acid
-
 Bacillus anthracis
2.5.1.15 2-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid
-
 Bacillus anthracis
2.5.1.15 2-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid
-
 Bacillus anthracis
2.5.1.15 3-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid
-
 Bacillus anthracis
2.5.1.15 3-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid
-
 Bacillus anthracis
2.5.1.15 3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid
-
 Bacillus anthracis
2.5.1.15 7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazine-3-carboxylic acid
-
 Bacillus anthracis
2.5.1.15 additional information a series of 4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazines are designed to improve binding affinity as dihydropteroate synthase inhibitors, overview. The N-methyl ring substitution is removed to improve binding within the pterin pocket, and the length of the side chain carboxylic acid is optimized to fully engage the diphosphate binding site. Evaluation by evaluated an enzyme activity assay, X-ray crystallography, isothermal calorimetry, and surface plasmon resonance to obtain a comprehensive understanding of the binding interactions from structural, kinetic, and thermodynamic perspectives Bacillus anthracis

Metals/Ions

EC Number Metals/Ions Comment Organism Structure
2.5.1.15 Mg2+ required Bacillus anthracis

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
2.5.1.15 (2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl diphosphate + 4-aminobenzoate Bacillus anthracis
-
 diphosphate + 7,8-dihydropteroate
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
2.5.1.15 Bacillus anthracis
-
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2.5.1.15 (2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl diphosphate + 4-aminobenzoate
-
 Bacillus anthracis diphosphate + 7,8-dihydropteroate
-
 ?

Temperature Optimum [°C]

EC Number Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
2.5.1.15 37
-
 assay at Bacillus anthracis

pH Optimum

EC Number pH Optimum Minimum pH Optimum Maximum Comment Organism
2.5.1.15 7.6
-
 assay at Bacillus anthracis