Literature summary for 3.4.21.91 extracted from

de Sousa, L.R.; Wu, H.; Nebo, L.; Fernandes, J.B.; da Silva, M.F.; Kiefer, W.; Kanitz, M.; Bodem, J.; Diederich, W.E.; Schirmeister, T.; Vieira, P.C.
Flavonoids as noncompetitive inhibitors of Dengue virus NS2B-NS3 protease: inhibition kinetics and docking studies (2015), Bioorg. Med. Chem., 23, 466-470.

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Inhibitors

Inhibitors	Comment	Organism	Structure
agathisflavone	binds to a specific allosteric binding site of the enzyme	Dengue virus
myricetin	binds to a specific allosteric binding site of the enzyme	Dengue virus
quercetin	dissociation constant Kd is 0.02 microM	Dengue virus

KM Value [mM]

KM Value [mM]	KM Value Maximum [mM]	Substrate	Comment	Organism	Structure
0.143	-	benzyloxycarbonyl-Gly-Arg-Arg-4-methylcoumarin 7-amide	serovar DENV2, pH 9.5, temperature not specified in the publication	Dengue virus
0.707	-	benzyloxycarbonyl-Gly-Arg-Arg-4-methylcoumarin 7-amide	serovar DENV3, pH 9.0, temperature not specified in the publication	Dengue virus

Organism

Organism	UniProt	Comment	Textmining
Dengue virus	-	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
benzyloxycarbonyl-Gly-Arg-Arg-4-methylcoumarin 7-amide + H2O	-	Dengue virus	benzyloxycarbonyl-Gly-Arg-Arg + 7-amino-4-methylcoumarin	-	?

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism	Structure
0.0047	-	myricetin	serovar DENV2, pH 9.5, temperature not specified in the publication	Dengue virus
0.0111	-	agathisflavone	serovar DENV2, pH 9.5, temperature not specified in the publication	Dengue virus
0.0153	-	agathisflavone	serovar DENV3, pH 9.0, temperature not specified in the publication	Dengue virus
0.0199	-	quercetin	serovar DENV3, pH 9.0, temperature not specified in the publication	Dengue virus
0.0227	-	quercetin	serovar DENV2, pH 9.5, temperature not specified in the publication	Dengue virus
0.0257	-	myricetin	serovar DENV3, pH 9.0, temperature not specified in the publication	Dengue virus

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.0151	-	serovar DENV2, pH 9.5, temperature not specified in the publication	Dengue virus	agathisflavone
0.0175	-	serovar DENV3, pH 9.0, temperature not specified in the publication	Dengue virus	agathisflavone
0.0223	-	serovar DENV2, pH 9.5, temperature not specified in the publication	Dengue virus	myricetin
0.0227	-	serovar DENV3, pH 9.0, temperature not specified in the publication	Dengue virus	quercetin
0.0293	-	serovar DENV3, pH 9.0, temperature not specified in the publication	Dengue virus	myricetin
0.0352	-	serovar DENV2, pH 9.5, temperature not specified in the publication	Dengue virus	quercetin

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Release 2023.1 (January 2023)