Literature summary for 4.2.2.1 extracted from

Rigden, D.J.; Botzki, A.; Nukui, M.; Mewbourne, R.B.; Lamani, E.; Braun, S.; von Angerer, E.; Bernhardt, G.; Dove, S.; Buschauer, A.; Jedrzejas, M.J.
Design of new benzoxazole-2-thione-derived inhibitors of Streptococcus pneumoniae hyaluronan lyase: structure of a complex with a 2-phenylindole (2006), Glycobiology, 16, 757-765.

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Crystallization (Commentary)

Crystallization (Comment)	Organism
hanging drop vapor diffusion method, 1-decyl-2-(4-sulfamoyloxyphenyl)-1-indol-6-yl sulfamate is co-crystallized in a complex with Streptococcus pneumoniae Hyal	Streptococcus pneumoniae

Inhibitors

Inhibitors	Comment	Organism	Structure
1-decyl-2-(4-sulfamoyloxyphenyl)-1-indol-6-yl sulfamate	-	Streptococcus agalactiae
1-decyl-2-(4-sulfamoyloxyphenyl)-1H-indol-6-yl sulfamate	inhibitor fits in the enzymatic active site via interactions resembling the binding mode of the natural hyaluronan substrate	Streptococcus agalactiae
L-ascorbic acid	-	Streptococcus agalactiae
L-ascorbic acid	-	Streptococcus pneumoniae
L-ascorbic acid-6-hexadecanoate	-	Streptococcus agalactiae
L-ascorbic acid-6-hexadecanoate	-	Streptococcus pneumoniae
additional information	IC50 for 1,3-diacetylbenzimidazole-2-thione is above 0.1 mM	Streptococcus pneumoniae
N-(3-phenylpropionyl)-benzoxazole-2-thione	-	Streptococcus agalactiae

Organism

Organism	UniProt	Comment	Textmining
Streptococcus agalactiae	-	-	-
Streptococcus agalactiae 4755	-	-	-
Streptococcus pneumoniae	Q54873	-	-

Synonyms

Synonyms	Comment	Organism
SagHyal	-	Streptococcus agalactiae
SpnHyal	-	Streptococcus pneumoniae

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.0042	-	pH 5.0	Streptococcus agalactiae	L-ascorbic acid-6-hexadecanoate
0.011	-	pH 5.0	Streptococcus agalactiae	1-decyl-2-(4-sulfamoyloxyphenyl)-1-indol-6-yl sulfamate
0.015	-	pH 5.0	Streptococcus agalactiae	N-(3-phenylpropionyl)-benzoxazole-2-thione
0.1	-	pH 5.0	Streptococcus pneumoniae	L-ascorbic acid-6-hexadecanoate
6.1	-	pH 5.0	Streptococcus agalactiae	L-ascorbic acid
34.8	-	pH 5.0	Streptococcus pneumoniae	L-ascorbic acid

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Release 2023.1 (January 2023)