Literature summary for 2.5.1.7 extracted from

Dunsmore, C.J.; Miller, K.; Blake, K.L.; Patching, S.G.; Henderson, P.J.; Garnett, J.A.; Stubbings, W.J.; Phillips, S.E.; Palestrant, D.J.; Angeles, J.D.; Leeds, J.A.; Chopra, I.; Fishwick, C.W.
2-Aminotetralones: novel inhibitors of MurA and MurZ (2008), Bioorg. Med. Chem. Lett., 18, 1730-1734.

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Protein Variants

Protein Variants	Comment	Organism
C115D	mutant protein is functional and resistant to fosfomycin and inhibitors 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6,7-dimethoxy-3,4-dihydronaphthalen-1(2H)-one and2-(4-methylpiperazin-1-yl)-3,4-dihydronaphthalen-1(2H)-one	Staphylococcus aureus
C115D	mutant protein is functional and resistant to fosfomycin and inhibitors 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6,7-dimethoxy-3,4-dihydronaphthalen-1(2H)-one and2-(4-methylpiperazin-1-yl)-3,4-dihydronaphthalen-1(2H)-one	Escherichia coli

Inhibitors

Inhibitors	Comment	Organism	Structure
2-(4-methylpiperazin-1-yl)-3,4-dihydronaphthalen-1(2H)-one	-	Escherichia coli
2-(4-methylpiperazin-1-yl)-3,4-dihydronaphthalen-1(2H)-one	-	Staphylococcus aureus
2-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydronaphthalen-1(2H)-one	-	Escherichia coli
2-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydronaphthalen-1(2H)-one	-	Staphylococcus aureus
2-[4-(2-hydroxyethyl)piperazin-1-yl]-6,7-dimethoxy-3,4-dihydronaphthalen-1(2H)-one	-	Escherichia coli
2-[4-(2-hydroxyethyl)piperazin-1-yl]-6,7-dimethoxy-3,4-dihydronaphthalen-1(2H)-one	-	Staphylococcus aureus
6,7-dimethoxy-2-[4-(2-phenylethyl)piperazin-1-yl]-3,4-dihydronaphthalen-1(2H)-one	-	Escherichia coli
6,7-dimethoxy-2-[4-(2-phenylethyl)piperazin-1-yl]-3,4-dihydronaphthalen-1(2H)-one	-	Staphylococcus aureus
fosfomycin	-	Escherichia coli
fosfomycin	-	Staphylococcus aureus

Organism

Organism	UniProt	Comment	Textmining
Escherichia coli	P0A749	-	-
Staphylococcus aureus	-	-	-

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.00046	-	-	Escherichia coli	fosfomycin
0.00136	-	-	Staphylococcus aureus	fosfomycin
0.00313	-	-	Escherichia coli	2-[4-(2-hydroxyethyl)piperazin-1-yl]-6,7-dimethoxy-3,4-dihydronaphthalen-1(2H)-one
0.00853	-	-	Escherichia coli	2-(4-methylpiperazin-1-yl)-3,4-dihydronaphthalen-1(2H)-one
0.01204	-	-	Staphylococcus aureus	2-(4-methylpiperazin-1-yl)-3,4-dihydronaphthalen-1(2H)-one
0.01252	-	-	Staphylococcus aureus	2-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydronaphthalen-1(2H)-one
0.01735	-	-	Staphylococcus aureus	2-[4-(2-hydroxyethyl)piperazin-1-yl]-6,7-dimethoxy-3,4-dihydronaphthalen-1(2H)-one
0.02249	-	-	Escherichia coli	2-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydronaphthalen-1(2H)-one
0.02256	-	-	Escherichia coli	6,7-dimethoxy-2-[4-(2-phenylethyl)piperazin-1-yl]-3,4-dihydronaphthalen-1(2H)-one
0.029	-	-	Staphylococcus aureus	6,7-dimethoxy-2-[4-(2-phenylethyl)piperazin-1-yl]-3,4-dihydronaphthalen-1(2H)-one

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Release 2023.1 (January 2023)