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Literature summary for 6.1.1.1 extracted from

  • Sun, J.; Liu, J.; Zhou, W.; Guo, F.; Wang, X.; Zhu, H.
    4-Hydroxy-3-(naphthalen-1-ylmethyl)thiophen-2(5H)-one as inhibitors of tyrosyl-tRNA synthase Synthesis, molecular docking and antibacterial evaluation (2014), J. Mol. Struct., 1056-1057, 104-109 .
No PubMed abstract available
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Cloned(Commentary)

Cloned (Comment) Organism
recombinant overexpression in Escherichia coli Staphylococcus aureus

Inhibitors

Inhibitors Comment Organism Structure
4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 2-bromobenzoate
-
 Staphylococcus aureus
4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 2-chlorobenzoate
-
 Staphylococcus aureus
4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 2-chloropyridine-3-carboxylate
-
 Staphylococcus aureus
4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 2-fluorobenzoate
-
 Staphylococcus aureus
4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 2-methoxybenzoate
-
 Staphylococcus aureus
4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 2-methylbenzoate
-
 Staphylococcus aureus
4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 2-nitrobenzoate
-
 Staphylococcus aureus
4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 3-(3-methylphenyl)propanoate
-
 Staphylococcus aureus
4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 3-(4-methylphenyl)propanoate
-
 Staphylococcus aureus
4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 3-aminobenzoate
-
 Staphylococcus aureus
4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 3-bromobenzoate
-
 Staphylococcus aureus
4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 3-chlorobenzoate
-
 Staphylococcus aureus
4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 3-fluorobenzoate
-
 Staphylococcus aureus
4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 3-hydroxybenzoate
-
 Staphylococcus aureus
4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 3-methylbenzoate
-
 Staphylococcus aureus
4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 3-phenylpropanoate
-
 Staphylococcus aureus
4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 4-aminobenzoate
-
 Staphylococcus aureus
4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 4-bromobenzoate
-
 Staphylococcus aureus
4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 4-chlorobenzoate
-
 Staphylococcus aureus
4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 4-fluorobenzoate
-
 Staphylococcus aureus
4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 4-hydroxybenzoate
-
 Staphylococcus aureus
4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 4-methylbenzoate
-
 Staphylococcus aureus
4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 6-chloropyridine-3-carboxylate
-
 Staphylococcus aureus
4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 6-hydroxypyridine-3-carboxylate
-
 Staphylococcus aureus
4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl benzoate
-
 Staphylococcus aureus
4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl pyridine-3-carboxylate
-
 Staphylococcus aureus
4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl pyridine-4-carboxylate
-
 Staphylococcus aureus
additional information synthesis and evaluation of a series of novel 4-hydroxy-3-(naphthalen-1-ylmethyl)thiophen-2(5H)-ones as tyrosyl-tRNA synthetase inhibitors, molecular docking, structure-activity relationships, overview Staphylococcus aureus

Organism

Organism UniProt Comment Textmining
Staphylococcus aureus
-
-
-
Staphylococcus aureus ATCC 25923
-
-
-

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
37
-
 assay at Staphylococcus aureus

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
7.9
-
 assay at Staphylococcus aureus

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0111
-
 pH 7.9, 37°C, recombinant enzyme Staphylococcus aureus 4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 3-(4-methylphenyl)propanoate
0.01898
-
 pH 7.9, 37°C, recombinant enzyme Staphylococcus aureus 4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 3-(3-methylphenyl)propanoate
0.04332
-
 pH 7.9, 37°C, recombinant enzyme Staphylococcus aureus 4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl benzoate
0.04476
-
 pH 7.9, 37°C, recombinant enzyme Staphylococcus aureus 4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 4-hydroxybenzoate
0.04894
-
 pH 7.9, 37°C, recombinant enzyme Staphylococcus aureus 4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 4-aminobenzoate
0.05008
-
 pH 7.9, 37°C, recombinant enzyme Staphylococcus aureus 4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 4-methylbenzoate
0.05117
-
 pH 7.9, 37°C, recombinant enzyme Staphylococcus aureus 4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 4-bromobenzoate
0.05523
-
 pH 7.9, 37°C, recombinant enzyme Staphylococcus aureus 4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 4-chlorobenzoate
0.06514
-
 pH 7.9, 37°C, recombinant enzyme Staphylococcus aureus 4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 4-fluorobenzoate
0.069
-
 pH 7.9, 37°C, recombinant enzyme Staphylococcus aureus 4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 3-methylbenzoate
0.07109
-
 pH 7.9, 37°C, recombinant enzyme Staphylococcus aureus 4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 3-aminobenzoate
0.07211
-
 pH 7.9, 37°C, recombinant enzyme Staphylococcus aureus 4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 3-hydroxybenzoate
0.08214
-
 pH 7.9, 37°C, recombinant enzyme Staphylococcus aureus 4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 3-fluorobenzoate
0.083
-
 pH 7.9, 37°C, recombinant enzyme Staphylococcus aureus 4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 3-phenylpropanoate
0.08313
-
 pH 7.9, 37°C, recombinant enzyme Staphylococcus aureus 4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 3-bromobenzoate
0.08613
-
 pH 7.9, 37°C, recombinant enzyme Staphylococcus aureus 4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 3-chlorobenzoate
0.08862
-
 pH 7.9, 37°C, recombinant enzyme Staphylococcus aureus 4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 2-methylbenzoate
0.0921
-
 pH 7.9, 37°C, recombinant enzyme Staphylococcus aureus 4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 2-methoxybenzoate
0.1
-
 above, pH 7.9, 37°C, recombinant enzyme Staphylococcus aureus 4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 2-bromobenzoate
0.1
-
 above, pH 7.9, 37°C, recombinant enzyme Staphylococcus aureus 4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 2-chlorobenzoate
0.1
-
 above, pH 7.9, 37°C, recombinant enzyme Staphylococcus aureus 4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 2-chloropyridine-3-carboxylate
0.1
-
 above, pH 7.9, 37°C, recombinant enzyme Staphylococcus aureus 4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 2-fluorobenzoate
0.1
-
 above, pH 7.9, 37°C, recombinant enzyme Staphylococcus aureus 4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 2-nitrobenzoate
0.1
-
 above, pH 7.9, 37°C, recombinant enzyme Staphylococcus aureus 4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 6-chloropyridine-3-carboxylate
0.1
-
 above, pH 7.9, 37°C, recombinant enzyme Staphylococcus aureus 4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl 6-hydroxypyridine-3-carboxylate
0.1
-
 above, pH 7.9, 37°C, recombinant enzyme Staphylococcus aureus 4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl pyridine-3-carboxylate
0.1
-
 above, pH 7.9, 37°C, recombinant enzyme Staphylococcus aureus 4-[(naphthalen-1-yl)methyl]-5-oxo-2,5-dihydrothiophen-3-yl pyridine-4-carboxylate