Literature summary for 5.1.1.3 extracted from

Geng, B.; Breault, G.; Comita-Prevoir, J.; Petrichko, R.; Eyermann, C.; Lundqvist, T.; Doig, P.; Gorseth, E.; Noonan, B.
Exploring 9-benzyl purines as inhibitors of glutamate racemase (MurI) in Gram-positive bacteria (2008), Bioorg. Med. Chem. Lett., 18, 4368-4372.

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Crystallization (Commentary)

Crystallization (Comment)	Organism
in complex with 9-benzyl purine inhibitors	Enterococcus faecalis
in complex with 9-benzyl purine inhibitors	Enterococcus faecium

Inhibitors

Inhibitors	Comment	Organism	Structure
2-(butylsulfanyl)-9-(2-methoxy-5-nitrobenzyl)-9H-purin-6-amine	comparison with effect on Enterococcus faecium and Staphylococcus aureus	Enterococcus faecalis
2-(butylsulfanyl)-9-(2-methoxy-5-nitrobenzyl)-9H-purin-6-amine	comparison with effect on Enterococcus faecalis and Staphylococcus aureus	Enterococcus faecium
2-(butylsulfanyl)-9-(3-chloro-2,6-difluorobenzyl)-9H-purin-6-amine	comparison with effect on Enterococcus faecium and Staphylococcus aureus	Enterococcus faecalis
2-(butylsulfanyl)-9-(3-chloro-2,6-difluorobenzyl)-9H-purin-6-amine	comparison with effect on Enterococcus faecalis and Staphylococcus aureus	Enterococcus faecium
2-butoxy-9-(3-chloro-2,6-difluorobenzyl)-N-(pyridin-3-ylmethyl)-9H-purin-6-amine	comparison with effect on Enterococcus faecium and Staphylococcus aureus	Enterococcus faecalis
2-butoxy-9-(3-chloro-2,6-difluorobenzyl)-N-(pyridin-3-ylmethyl)-9H-purin-6-amine	comparison with effect on Enterococcus faecalis and Staphylococcus aureus	Enterococcus faecium
9-(2,6-difluoro-3-methylbenzyl)-2-[(1,1,1,2,2-pentafluoropentan-3-yl)oxy]-9H-purin-6-amine	comparison with effect on Enterococcus faecium and Staphylococcus aureus	Enterococcus faecalis
9-(2,6-difluoro-3-methylbenzyl)-2-[(1,1,1,2,2-pentafluoropentan-3-yl)oxy]-9H-purin-6-amine	comparison with effect on Enterococcus faecalis and Staphylococcus aureus	Enterococcus faecium

Organism

Organism	UniProt	Comment	Textmining
Enterococcus faecalis	Q836J0	-	-
Enterococcus faecium	Q836J0	-	-

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.0014	-	-	Enterococcus faecalis	2-(butylsulfanyl)-9-(2-methoxy-5-nitrobenzyl)-9H-purin-6-amine
0.002	-	-	Enterococcus faecalis	2-butoxy-9-(3-chloro-2,6-difluorobenzyl)-N-(pyridin-3-ylmethyl)-9H-purin-6-amine
0.0022	-	-	Enterococcus faecalis	2-(butylsulfanyl)-9-(3-chloro-2,6-difluorobenzyl)-9H-purin-6-amine
0.0025	-	-	Enterococcus faecium	2-(butylsulfanyl)-9-(2-methoxy-5-nitrobenzyl)-9H-purin-6-amine
0.0026	-	-	Enterococcus faecium	2-(butylsulfanyl)-9-(3-chloro-2,6-difluorobenzyl)-9H-purin-6-amine
0.0027	-	-	Enterococcus faecium	2-butoxy-9-(3-chloro-2,6-difluorobenzyl)-N-(pyridin-3-ylmethyl)-9H-purin-6-amine
0.0043	-	-	Enterococcus faecalis	9-(2,6-difluoro-3-methylbenzyl)-2-[(1,1,1,2,2-pentafluoropentan-3-yl)oxy]-9H-purin-6-amine
0.0044	-	-	Enterococcus faecium	9-(2,6-difluoro-3-methylbenzyl)-2-[(1,1,1,2,2-pentafluoropentan-3-yl)oxy]-9H-purin-6-amine

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Release 2023.1 (January 2023)