Literature summary for 6.5.1.2 extracted from

Wang, T.; Duncan, L.; Gu, W.; ODowd, H.; Wei, Y.; Perola, E.; Parsons, J.; Gross, C.H.; Moody, C.S.; Arends, S.J.; Charifson, P.S.
Design, synthesis and biological evaluation of potent NAD+-dependent DNA ligase inhibitors as potential antibacterial agents. Part 2: 4-amino-pyrido[2,3-d]pyrimidin-5(8H)-ones (2012), Bioorg. Med. Chem. Lett., 22, 3699-3703.

Inhibitors

Inhibitors	Comment	Organism
(3S)-3-[4-amino-2-[(4-methylcyclohexyl)oxy]-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl]-4-hydroxycyclopentanecarboxamide	-	Escherichia coli
(3S)-3-[4-amino-2-[(4-methylcyclohexyl)oxy]-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl]-4-hydroxycyclopentanecarboxylic acid	-	Escherichia coli
(4-amino-2-[(2-methylcyclohexyl)oxy]-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl)acetonitrile	-	Escherichia coli
3-(4-amino-2-[(2-methylcyclohexyl)oxy]-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl)propanenitrile	-	Escherichia coli
4-([4-amino-2-[(2-methylcyclohexyl)oxy]-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl]methyl)benzoic acid	-	Escherichia coli
4-amino-2-(1,4-dioxaspiro[4.5]dec-8-yloxy)-8-[(1R)-2-hydroxycyclopentyl]pyrido[2,3-d]pyrimidin-5(8H)-one	-	Escherichia coli
4-amino-2-(2-fluoroethoxy)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-5(8H)-one	-	Escherichia coli
4-amino-2-(cyclopentylamino)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-5(8H)-one	-	Escherichia coli
4-amino-2-(cyclopentyloxy)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-5(8H)-one	-	Escherichia coli
4-amino-2-(cyclopentylsulfanyl)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-5(8H)-one	-	Escherichia coli
4-amino-2-(cyclopentylsulfanyl)-8-[(1R)-2-hydroxycyclopentyl]pyrido[2,3-d]pyrimidin-5(8H)-one	-	Escherichia coli
4-amino-2-[(1,3-difluoropropan-2-yl)oxy]-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-5(8H)-one	-	Escherichia coli
4-amino-2-[(2,4-dimethylcyclohexyl)oxy]-8-[(1R)-2-hydroxycyclopentyl]pyrido[2,3-d]pyrimidin-5(8H)-one	-	Escherichia coli
4-amino-2-[(2-methylcyclohexyl)oxy]-8-(1H-pyrazol-4-ylmethyl)pyrido[2,3-d]pyrimidin-5(8H)-one	-	Escherichia coli
4-amino-2-[(2-methylcyclohexyl)oxy]-8-[(1R,5R)-7-oxo-6-oxabicyclo[3.2.1]oct-4-yl]pyrido[2,3-d]pyrimidin-5(8H)-one	-	Escherichia coli
4-amino-2-[(4-chlorocyclohexyl)oxy]-8-[(1R)-2-hydroxycyclopentyl]pyrido[2,3-d]pyrimidin-5(8H)-one	-	Escherichia coli
4-amino-8-(2,3-dihydroxypropyl)-2-[(2-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one	-	Escherichia coli
4-amino-8-(2-hydroxyethyl)-2-(2-methylcyclohexyl)pyrido[2,3-d]pyrimidin-5(8H)-one	-	Escherichia coli
4-amino-8-(2-hydroxyethyl)-2-(4-methylcyclohexyl)pyrido[2,3-d]pyrimidin-5(8H)-one	-	Escherichia coli
4-amino-8-(2-hydroxyethyl)-2-(propan-2-yloxy)pyrido[2,3-d]pyrimidin-5(8H)-one	-	Escherichia coli
4-amino-8-(3-fluoro-2-hydroxypropyl)-2-[(2-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one	-	Escherichia coli
4-amino-8-(cyclopent-3-en-1-ylmethyl)-2-[(2-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one	-	Escherichia coli
4-amino-8-[(1R)-2-hydroxycyclopentyl]-2-[[4-(trifluoromethyl)cyclohexyl]oxy]pyrido[2,3-d]pyrimidin-5(8H)-one	-	Escherichia coli
4-amino-8-[(1S)-2,3-dihydroxycyclopentyl]-2-[(4-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one	-	Escherichia coli
4-amino-8-[(1S,2S)-2-hydroxycyclopentyl]-2-[(4-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one	-	Escherichia coli
4-amino-8-[(2R)-2-hydroxycyclohexyl]-2-[(2-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one	-	Escherichia coli
4-amino-8-[(2R)-2-hydroxycyclopentyl]-2-[(4-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one	-	Escherichia coli
4-amino-8-[(2S,5S)-2,5-dihydroxycyclopentyl]-2-[(4-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one	-	Escherichia coli
4-amino-8-[(3,4-dihydroxycyclopentyl)methyl]-2-[(2-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one	-	Escherichia coli
4-amino-8-[[(2R)-2-hydroxycyclopentyl]methyl]-2-[(2-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one	-	Escherichia coli
4-amino-8-[[(4S)-4-hydroxytetrahydrofuran-3-yl]methyl]-2-[(2-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one	-	Escherichia coli
5-([4-amino-2-[(4-methylcyclohexyl)oxy]-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl]methyl)thiophene-2-carboxylic acid	-	Escherichia coli

Organism

Organism	UniProt	Comment	Textmining
Escherichia coli	-	-	-

Synonyms

Synonyms	Comment	Organism
LigA	-	Escherichia coli

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor
0.000019	-	pH and temperature not specified in the publication	Escherichia coli	4-([4-amino-2-[(2-methylcyclohexyl)oxy]-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl]methyl)benzoic acid
0.00002	-	pH and temperature not specified in the publication	Escherichia coli	4-amino-8-(cyclopent-3-en-1-ylmethyl)-2-[(2-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one
0.00002	-	pH and temperature not specified in the publication	Escherichia coli	(4-amino-2-[(2-methylcyclohexyl)oxy]-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl)acetonitrile
0.000028	-	pH and temperature not specified in the publication	Escherichia coli	4-amino-8-(3-fluoro-2-hydroxypropyl)-2-[(2-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one
0.000028	-	pH and temperature not specified in the publication	Escherichia coli	4-amino-2-[(2-methylcyclohexyl)oxy]-8-[(1R,5R)-7-oxo-6-oxabicyclo[3.2.1]oct-4-yl]pyrido[2,3-d]pyrimidin-5(8H)-one
0.000036	-	pH and temperature not specified in the publication	Escherichia coli	4-amino-2-[(2-methylcyclohexyl)oxy]-8-(1H-pyrazol-4-ylmethyl)pyrido[2,3-d]pyrimidin-5(8H)-one
0.000036	-	pH and temperature not specified in the publication	Escherichia coli	3-(4-amino-2-[(2-methylcyclohexyl)oxy]-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl)propanenitrile
0.000038	-	pH and temperature not specified in the publication	Escherichia coli	4-amino-8-[[(4S)-4-hydroxytetrahydrofuran-3-yl]methyl]-2-[(2-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one
0.000039	-	pH and temperature not specified in the publication	Escherichia coli	4-amino-8-[(1S,2S)-2-hydroxycyclopentyl]-2-[(4-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one
0.00004	-	pH and temperature not specified in the publication	Escherichia coli	4-amino-8-[[(2R)-2-hydroxycyclopentyl]methyl]-2-[(2-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one
0.000041	-	pH and temperature not specified in the publication	Escherichia coli	4-amino-2-[(4-chlorocyclohexyl)oxy]-8-[(1R)-2-hydroxycyclopentyl]pyrido[2,3-d]pyrimidin-5(8H)-one
0.0000488	-	pH and temperature not specified in the publication	Escherichia coli	(3S)-3-[4-amino-2-[(4-methylcyclohexyl)oxy]-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl]-4-hydroxycyclopentanecarboxamide
0.000051	-	pH and temperature not specified in the publication	Escherichia coli	(3S)-3-[4-amino-2-[(4-methylcyclohexyl)oxy]-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl]-4-hydroxycyclopentanecarboxylic acid
0.000057	-	pH and temperature not specified in the publication	Escherichia coli	4-amino-8-(2-hydroxyethyl)-2-(2-methylcyclohexyl)pyrido[2,3-d]pyrimidin-5(8H)-one
0.000063	-	pH and temperature not specified in the publication	Escherichia coli	4-amino-2-(cyclopentylsulfanyl)-8-[(1R)-2-hydroxycyclopentyl]pyrido[2,3-d]pyrimidin-5(8H)-one
0.000068	-	pH and temperature not specified in the publication	Escherichia coli	4-amino-8-[(3,4-dihydroxycyclopentyl)methyl]-2-[(2-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one
0.000076	-	pH and temperature not specified in the publication	Escherichia coli	4-amino-8-[(2S,5S)-2,5-dihydroxycyclopentyl]-2-[(4-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one
0.000079	-	pH and temperature not specified in the publication	Escherichia coli	4-amino-8-(2,3-dihydroxypropyl)-2-[(2-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one
0.00009	-	pH and temperature not specified in the publication	Escherichia coli	4-amino-2-(1,4-dioxaspiro[4.5]dec-8-yloxy)-8-[(1R)-2-hydroxycyclopentyl]pyrido[2,3-d]pyrimidin-5(8H)-one
0.00011	-	pH and temperature not specified in the publication	Escherichia coli	4-amino-8-[(2R)-2-hydroxycyclohexyl]-2-[(2-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one
0.00017	-	pH and temperature not specified in the publication	Escherichia coli	4-amino-2-[(2,4-dimethylcyclohexyl)oxy]-8-[(1R)-2-hydroxycyclopentyl]pyrido[2,3-d]pyrimidin-5(8H)-one
0.00019	-	pH and temperature not specified in the publication	Escherichia coli	4-amino-8-[(2R)-2-hydroxycyclopentyl]-2-[(4-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one
0.000225	-	pH and temperature not specified in the publication	Escherichia coli	4-amino-8-[(1S)-2,3-dihydroxycyclopentyl]-2-[(4-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one
0.00031	-	pH and temperature not specified in the publication	Escherichia coli	4-amino-2-[(1,3-difluoropropan-2-yl)oxy]-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-5(8H)-one
0.00035	-	pH and temperature not specified in the publication	Escherichia coli	4-amino-8-[(1R)-2-hydroxycyclopentyl]-2-[[4-(trifluoromethyl)cyclohexyl]oxy]pyrido[2,3-d]pyrimidin-5(8H)-one
0.00042	-	pH and temperature not specified in the publication	Escherichia coli	4-amino-8-(2-hydroxyethyl)-2-(4-methylcyclohexyl)pyrido[2,3-d]pyrimidin-5(8H)-one
0.00049	-	pH and temperature not specified in the publication	Escherichia coli	5-([4-amino-2-[(4-methylcyclohexyl)oxy]-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl]methyl)thiophene-2-carboxylic acid
0.00106	-	pH and temperature not specified in the publication	Escherichia coli	4-amino-8-(2-hydroxyethyl)-2-(propan-2-yloxy)pyrido[2,3-d]pyrimidin-5(8H)-one
0.00195	-	pH and temperature not specified in the publication	Escherichia coli	4-amino-2-(2-fluoroethoxy)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-5(8H)-one
0.0035	-	pH and temperature not specified in the publication	Escherichia coli	4-amino-2-(cyclopentylsulfanyl)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-5(8H)-one
0.0051	-	pH and temperature not specified in the publication	Escherichia coli	4-amino-2-(cyclopentyloxy)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-5(8H)-one
0.01	-	pH and temperature not specified in the publication	Escherichia coli	4-amino-2-(cyclopentylamino)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-5(8H)-one