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Literature summary 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.
    View publication on PubMed

Inhibitors

EC Number Inhibitors Comment Organism Structure
6.5.1.2 (3S)-3-[4-amino-2-[(4-methylcyclohexyl)oxy]-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl]-4-hydroxycyclopentanecarboxamide
-
 Escherichia coli
6.5.1.2 (3S)-3-[4-amino-2-[(4-methylcyclohexyl)oxy]-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl]-4-hydroxycyclopentanecarboxylic acid
-
 Escherichia coli
6.5.1.2 (4-amino-2-[(2-methylcyclohexyl)oxy]-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl)acetonitrile
-
 Escherichia coli
6.5.1.2 3-(4-amino-2-[(2-methylcyclohexyl)oxy]-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl)propanenitrile
-
 Escherichia coli
6.5.1.2 4-([4-amino-2-[(2-methylcyclohexyl)oxy]-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl]methyl)benzoic acid
-
 Escherichia coli
6.5.1.2 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
6.5.1.2 4-amino-2-(2-fluoroethoxy)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-5(8H)-one
-
 Escherichia coli
6.5.1.2 4-amino-2-(cyclopentylamino)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-5(8H)-one
-
 Escherichia coli
6.5.1.2 4-amino-2-(cyclopentyloxy)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-5(8H)-one
-
 Escherichia coli
6.5.1.2 4-amino-2-(cyclopentylsulfanyl)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-5(8H)-one
-
 Escherichia coli
6.5.1.2 4-amino-2-(cyclopentylsulfanyl)-8-[(1R)-2-hydroxycyclopentyl]pyrido[2,3-d]pyrimidin-5(8H)-one
-
 Escherichia coli
6.5.1.2 4-amino-2-[(1,3-difluoropropan-2-yl)oxy]-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-5(8H)-one
-
 Escherichia coli
6.5.1.2 4-amino-2-[(2,4-dimethylcyclohexyl)oxy]-8-[(1R)-2-hydroxycyclopentyl]pyrido[2,3-d]pyrimidin-5(8H)-one
-
 Escherichia coli
6.5.1.2 4-amino-2-[(2-methylcyclohexyl)oxy]-8-(1H-pyrazol-4-ylmethyl)pyrido[2,3-d]pyrimidin-5(8H)-one
-
 Escherichia coli
6.5.1.2 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
6.5.1.2 4-amino-2-[(4-chlorocyclohexyl)oxy]-8-[(1R)-2-hydroxycyclopentyl]pyrido[2,3-d]pyrimidin-5(8H)-one
-
 Escherichia coli
6.5.1.2 4-amino-8-(2,3-dihydroxypropyl)-2-[(2-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one
-
 Escherichia coli
6.5.1.2 4-amino-8-(2-hydroxyethyl)-2-(2-methylcyclohexyl)pyrido[2,3-d]pyrimidin-5(8H)-one
-
 Escherichia coli
6.5.1.2 4-amino-8-(2-hydroxyethyl)-2-(4-methylcyclohexyl)pyrido[2,3-d]pyrimidin-5(8H)-one
-
 Escherichia coli
6.5.1.2 4-amino-8-(2-hydroxyethyl)-2-(propan-2-yloxy)pyrido[2,3-d]pyrimidin-5(8H)-one
-
 Escherichia coli
6.5.1.2 4-amino-8-(3-fluoro-2-hydroxypropyl)-2-[(2-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one
-
 Escherichia coli
6.5.1.2 4-amino-8-(cyclopent-3-en-1-ylmethyl)-2-[(2-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one
-
 Escherichia coli
6.5.1.2 4-amino-8-[(1R)-2-hydroxycyclopentyl]-2-[[4-(trifluoromethyl)cyclohexyl]oxy]pyrido[2,3-d]pyrimidin-5(8H)-one
-
 Escherichia coli
6.5.1.2 4-amino-8-[(1S)-2,3-dihydroxycyclopentyl]-2-[(4-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one
-
 Escherichia coli
6.5.1.2 4-amino-8-[(1S,2S)-2-hydroxycyclopentyl]-2-[(4-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one
-
 Escherichia coli
6.5.1.2 4-amino-8-[(2R)-2-hydroxycyclohexyl]-2-[(2-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one
-
 Escherichia coli
6.5.1.2 4-amino-8-[(2R)-2-hydroxycyclopentyl]-2-[(4-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one
-
 Escherichia coli
6.5.1.2 4-amino-8-[(2S,5S)-2,5-dihydroxycyclopentyl]-2-[(4-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one
-
 Escherichia coli
6.5.1.2 4-amino-8-[(3,4-dihydroxycyclopentyl)methyl]-2-[(2-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one
-
 Escherichia coli
6.5.1.2 4-amino-8-[[(2R)-2-hydroxycyclopentyl]methyl]-2-[(2-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one
-
 Escherichia coli
6.5.1.2 4-amino-8-[[(4S)-4-hydroxytetrahydrofuran-3-yl]methyl]-2-[(2-methylcyclohexyl)oxy]pyrido[2,3-d]pyrimidin-5(8H)-one
-
 Escherichia coli
6.5.1.2 5-([4-amino-2-[(4-methylcyclohexyl)oxy]-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl]methyl)thiophene-2-carboxylic acid
-
 Escherichia coli

Organism

EC Number Organism UniProt Comment Textmining
6.5.1.2 Escherichia coli
-
-
-

Synonyms

EC Number Synonyms Comment Organism
6.5.1.2 LigA
-
 Escherichia coli

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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