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Literature summary for 4.1.2.25 extracted from

  • Sanders, W.J.; Nienaber, V.L.; Lerner, C.G.; McCall, J.O.; Merrick, S.M.; Swanson, S.J.; Harlan, J.E.; Stoll, V.S.; Stamper, G.F.; Betz, S.F.; Condroski, K.R.; Meadows, R.P.; Severin, J.M.; Walter, K.A.; Magdalinos, P.; Jakob, C.G.; Wagner, R.; Beutel, B.A.
    Discovery of potent inhibitors of dihydroneopterin aldolase using CrystaLEAD high-throughput X-ray crystallographic screening and structure-directed lead optimization (2004), J. Med. Chem., 47, 1709-1718.
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(1-hydroxycyclohexylmethyl)benzamide IC50: 0.00074 mM Staphylococcus aureus
3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2,2-bis-hydroxymethylbutyl)benzamide IC50: 0.00095 mM Staphylococcus aureus
3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2,3-dihydrobenzofuran-5-ylmethyl)benzamide IC50: 0.00055 mM Staphylococcus aureus
3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(3,5-bistrifluoromethylbenzyl)benzamide IC50: 0.001 mM Staphylococcus aureus
3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(3,5-dichlorobenzyl)benzamid IC50: 0.000068 mM Staphylococcus aureus
3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide IC50: 0.00073 mM Staphylococcus aureus
3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(3-hydroxypropyl)benzamide IC50: 0.0023 mM Staphylococcus aureus
3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(4-hydroxybutyl)benzamide IC50: 0.002 mM Staphylococcus aureus
3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(4-phenoxybenzyl)benzamide IC50: 0.022 mM Staphylococcus aureus
3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-benzo[1,3]dioxol-5-ylmethylbenzamide IC50: 0.00031 mM Staphylococcus aureus
3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-biphenyl-4-ylmethylbenzamide IC50: 0.025 mM Staphylococcus aureus
3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-cis-(2-hydroxycycloheptylmethyl)benzamide IC50: 0.00035 mM Staphylococcus aureus
3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-cis-(2-hydroxycyclohexylmethyl)benzamide IC50: 0.00041 mM Staphylococcus aureus
3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-trans-(2-hydroxycyclohexylmethyl)benzamide IC50: 0.00032 mM Staphylococcus aureus
3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-[2-(2-hydroxymethylphenylsulfanyl)benzyl]-benzamide IC50: 0.00003 mM Staphylococcus aureus
3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)benzoic acid IC50: 0.0015 mM Staphylococcus aureus

Organism

Organism UniProt Comment Textmining
Staphylococcus aureus
-
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
7,8-dihydroneopterin
-
Staphylococcus aureus 6-hydroxymethyl-7,8-dihydropterin + glycolaldehyde
-
?

Synonyms

Synonyms Comment Organism
DHNA
-
Staphylococcus aureus

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00003
-
IC50: 0.00003 mM Staphylococcus aureus 3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-[2-(2-hydroxymethylphenylsulfanyl)benzyl]-benzamide
0.000068
-
IC50: 0.000068 mM Staphylococcus aureus 3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(3,5-dichlorobenzyl)benzamid
0.00031
-
IC50: 0.00031 mM Staphylococcus aureus 3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-benzo[1,3]dioxol-5-ylmethylbenzamide
0.00032
-
IC50: 0.00032 mM Staphylococcus aureus 3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-trans-(2-hydroxycyclohexylmethyl)benzamide
0.00035
-
IC50: 0.00035 mM Staphylococcus aureus 3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-cis-(2-hydroxycycloheptylmethyl)benzamide
0.00041
-
IC50: 0.00041 mM Staphylococcus aureus 3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-cis-(2-hydroxycyclohexylmethyl)benzamide
0.00055
-
IC50: 0.00055 mM Staphylococcus aureus 3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2,3-dihydrobenzofuran-5-ylmethyl)benzamide
0.00073
-
IC50: 0.00073 mM Staphylococcus aureus 3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
0.00074
-
IC50: 0.00074 mM Staphylococcus aureus 3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(1-hydroxycyclohexylmethyl)benzamide
0.00095
-
IC50: 0.00095 mM Staphylococcus aureus 3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2,2-bis-hydroxymethylbutyl)benzamide
0.001
-
IC50: 0.001 mM Staphylococcus aureus 3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(3,5-bistrifluoromethylbenzyl)benzamide
0.0015
-
IC50: 0.0015 mM Staphylococcus aureus 3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)benzoic acid
0.002
-
IC50: 0.002 mM Staphylococcus aureus 3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(4-hydroxybutyl)benzamide
0.0023
-
IC50: 0.0023 mM Staphylococcus aureus 3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(3-hydroxypropyl)benzamide
0.022
-
IC50: 0.022 mM Staphylococcus aureus 3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(4-phenoxybenzyl)benzamide
0.025
-
IC50: 0.025 mM Staphylococcus aureus 3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-biphenyl-4-ylmethylbenzamide