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Literature summary for 2.7.7.3 extracted from

  • Moreau, R.J.; Skepper, C.K.; Appleton, B.A.; Blechschmidt, A.; Balibar, C.J.; Benton, B.M.; Drumm, J.E.; Feng, B.Y.; Geng, M.; Li, C.; Lindvall, M.K.; Lingel, A.; Lu, Y.; Mamo, M.; Mergo, W.; Polyakov, V.; Smith, T.M.; Takeoka, K.; Uehara, K.; Wang, L.; Wei, J.R.; Weiss, A.H.; Xie, L.; Xu, W.; Zhang, Q.; de Vicente, J.
    Fragment-based drug discovery of inhibitors of phosphopantetheine adenylyltransferase from Gram-negative bacteria (2018), J. Med. Chem., 61, 3309-3324 .
    View publication on PubMed
Search for more literature for 2.7.7.3

Crystallization (Commentary)

Crystallization (Comment) Organism
in complex with inhibitors Escherichia coli

Inhibitors

Inhibitors Comment Organism Structure
(2S)-2-(3-chlorophenyl)-2-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]ethyl carbamate
-
 Escherichia coli
(3R)-3-(3-chlorophenyl)-3-[(5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile lead compound as selective, small molecule inhibitor, displays modest cellular potency against the efflux-deficient Escherichia coli DeltatolC mutant strain Escherichia coli
(3R)-3-(3-chlorophenyl)-3-[(5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile lead compound as selective, small molecule inhibitor Pseudomonas aeruginosa
(3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile lead compound as selective, small molecule inhibitor, displays modest cellular potency against the efflux-deficient Escherichia coli DeltatolC mutant strain Escherichia coli
(3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile lead compound as selective, small molecule inhibitor Pseudomonas aeruginosa
2-[(1S)-2-(4-chlorophenyl)cyclopentyl]-1H-benzimidazol-4-ol
-
 Escherichia coli
2-[1-(4-chlorophenyl)pyrrolidin-2-yl]-1H-benzimidazol-4-ol
-
 Escherichia coli
2-[2-(4-chlorophenyl)ethyl]-1H-benzimidazol-4-ol
-
 Escherichia coli
2-[[(1R)-1-(3-chlorophenyl)-3-hydroxypropyl]amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
-
 Escherichia coli
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-5-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
-
 Escherichia coli
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
-
 Escherichia coli
2-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
-
 Escherichia coli
3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanamide
-
 Escherichia coli
3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanoic acid
-
 Escherichia coli
3-[(2S)-2-(4-hydroxy-1H-benzimidazol-2-yl)cyclopentyl]benzoic acid
-
 Escherichia coli
5-(4-hydroxy-1H-benzimidazol-2-yl)-1-methyl-6-phenylpiperidin-2-one
-
 Escherichia coli
N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridin-2-amine
-
 Escherichia coli
N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl[1,3]thiazolo[4,5-b]pyridin-2-amine
-
 Escherichia coli
N2-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine
-
 Escherichia coli

Organism

Organism UniProt Comment Textmining
Escherichia coli P0A6I6
-
-
Pseudomonas aeruginosa Q9I6D1
-
-

Synonyms

Synonyms Comment Organism
CoaD
-
 Escherichia coli
CoaD
-
 Pseudomonas aeruginosa

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.000037
-
 pH not specified in the publication, temperature not specified in the publication Escherichia coli (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile
0.000049
-
 pH not specified in the publication, temperature not specified in the publication Pseudomonas aeruginosa (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile
0.000051
-
 pH not specified in the publication, temperature not specified in the publication Escherichia coli 2-[(1S)-2-(4-chlorophenyl)cyclopentyl]-1H-benzimidazol-4-ol
0.000051
-
 pH not specified in the publication, temperature not specified in the publication Escherichia coli 3-[(2S)-2-(4-hydroxy-1H-benzimidazol-2-yl)cyclopentyl]benzoic acid
0.000056
-
 pH not specified in the publication, temperature not specified in the publication Escherichia coli (3R)-3-(3-chlorophenyl)-3-[(5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile
0.000064
-
 pH not specified in the publication, temperature not specified in the publication Pseudomonas aeruginosa (3R)-3-(3-chlorophenyl)-3-[(5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile
0.000091
-
 pH not specified in the publication, temperature not specified in the publication Escherichia coli 2-[1-(4-chlorophenyl)pyrrolidin-2-yl]-1H-benzimidazol-4-ol
0.00019
-
 pH not specified in the publication, temperature not specified in the publication Escherichia coli N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridin-2-amine
0.0002
-
 pH not specified in the publication, temperature not specified in the publication Escherichia coli 3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanoic acid
0.00024
-
 pH not specified in the publication, temperature not specified in the publication Escherichia coli 2-[[(1R)-1-(3-chlorophenyl)-3-hydroxypropyl]amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
0.00025
-
 pH not specified in the publication, temperature not specified in the publication Escherichia coli (2S)-2-(3-chlorophenyl)-2-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]ethyl carbamate
0.00025
-
 pH not specified in the publication, temperature not specified in the publication Escherichia coli 2-[2-(4-chlorophenyl)ethyl]-1H-benzimidazol-4-ol
0.00025
-
 pH not specified in the publication, temperature not specified in the publication Escherichia coli 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
0.00032
-
 pH not specified in the publication, temperature not specified in the publication Escherichia coli 5-(4-hydroxy-1H-benzimidazol-2-yl)-1-methyl-6-phenylpiperidin-2-one
0.00041
-
 pH not specified in the publication, temperature not specified in the publication Escherichia coli N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl[1,3]thiazolo[4,5-b]pyridin-2-amine
0.00041
-
 pH not specified in the publication, temperature not specified in the publication Escherichia coli N2-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine
0.00045
-
 pH not specified in the publication, temperature not specified in the publication Escherichia coli 3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanamide
0.00055
-
 pH not specified in the publication, temperature not specified in the publication Escherichia coli 2-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
0.0009
-
 pH not specified in the publication, temperature not specified in the publication Escherichia coli 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-5-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one