Literature summary for 3.4.21.91 extracted from

Johnston, P.A.; Phillips, J.; Shun, T.Y.; Shinde, S.; Lazo, J.S.; Huryn, D.M.; Myers, M.C.; Ratnikov, B.I.; Smith, J.W.; Su, Y.; Dahl, R.; Cosford, N.D.; Shiryaev, S.A.; Strongin, A.Y.
HTS identifies novel and specific uncompetitive inhibitors of the two-component NS2B-NS3 proteinase of West Nile virus (2007), Assay Drug Dev. Technol., 5, 737-750.

Search for more literature for 3.4.21.91

Cloned(Commentary)

Cloned (Comment)	Organism
mutant K48A cloned into pET101/D-TOPO vector and expressed in Escherichia coli BL21(DE3) Codon Plus cells	West Nile virus

Protein Variants

Protein Variants	Comment	Organism
K48A	autolysis-resistant	West Nile virus

Inhibitors

Inhibitors	Comment	Organism	Structure
(5-amino-1-phenylsulfonylpyrazol-3-yl) 2-bromobenzoate	100.8% inhibition at 0.05 mM	West Nile virus
(5-amino-1-phenylsulfonylpyrazol-3-yl)thiophene-2-carboxylate	101.4% inhibition at 0.05 mM	West Nile virus
2-[[(4-methoxyphenyl)amino]methylidene]cyclohexane-1,3-dione	56% inhibition at 0.05 mM	West Nile virus
6-methoxy-3-methyl-1H-benzo[de]cinnoline	98.2% inhibition at 0.05 mM	West Nile virus
Aprotinin	non-specific inhibitor of NS2B-NS3pro, full inhibition at 0.001 mM	West Nile virus
N-(9-ethylcarbazol-3-yl)-2-[(4-ethyl-5-furan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide	68.8% inhibition at 0.05 mM	West Nile virus
[2-(2-cyanoethyl)-5-methylpyrazol-3-yl] benzoate	105.9% inhibition at 0.05 mM	West Nile virus
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone	51.6% inhibition at 0.05 mM	West Nile virus
[5-amino-1-(4-fluorophenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate	107.7% inhibition at 0.05 mM	West Nile virus
[5-amino-1-(4-fluorophenyl)sulfonylpyrazol-3-yl] thiophene-2-carboxylate	99.1% inhibition at 0.05 mM	West Nile virus
[5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] 2-bromobenzoate	112.5% inhibition at 0.05 mM	West Nile virus
[5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] benzoate	115.6% inhibition at 0.05 mM	West Nile virus
[5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate	99.3% inhibition at 0.05 mM	West Nile virus
[5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] thiophene-2-carboxylate	116.3% inhibition at 0.05 mM	West Nile virus
[5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate	96.6% inhibition at 0.05 mM	West Nile virus
[5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] thiophene-2-carboxylate	86.8% inhibition at 0.05 mM	West Nile virus

KM Value [mM]

KM Value [mM]	KM Value Maximum [mM]	Substrate	Comment	Organism	Structure
0.0586	-	pyroglutamic acid-Arg-Thr-Lys-Arg-7-amido-4-methylcoumarin	-	West Nile virus

Organism

Organism	UniProt	Comment	Textmining
West Nile virus	-	-	-

Purification (Commentary)

Purification (Comment)	Organism
to homogeneity	West Nile virus

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
pyroglutamic acid-Arg-Thr-Lys-Arg-7-amido-4-methylcoumarin + H2O	-	West Nile virus	?	-	?

Synonyms

Synonyms	Comment	Organism
NS2B-NS3 proteinase	-	West Nile virus

Cofactor

Cofactor	Comment	Organism	Structure
NS2B protein	-	West Nile virus

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.0001024	-	-	West Nile virus	Aprotinin
0.000105	-	-	West Nile virus	[5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] benzoate
0.00011	-	-	West Nile virus	[5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] thiophene-2-carboxylate
0.000297	-	-	West Nile virus	[5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] 2-bromobenzoate
0.000553	-	-	West Nile virus	[5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate
0.001161	-	-	West Nile virus	[5-amino-1-(4-fluorophenyl)sulfonylpyrazol-3-yl] thiophene-2-carboxylate
0.001263	-	-	West Nile virus	(5-amino-1-phenylsulfonylpyrazol-3-yl) 2-bromobenzoate
0.001353	-	-	West Nile virus	[2-(2-cyanoethyl)-5-methylpyrazol-3-yl] benzoate
0.001651	-	-	West Nile virus	[5-amino-1-(4-fluorophenyl)sulfonylpyrazol-3-yl]furan-2-carboxylate
0.002376	-	-	West Nile virus	(5-amino-1-phenylsulfonylpyrazol-3-yl)thiophene-2-carboxylate
0.002405	-	-	West Nile virus	[5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] thiophene-2-carboxylate
0.01007	-	-	West Nile virus	6-methoxy-3-methyl-1H-benzo[de]cinnoline
0.01439	-	-	West Nile virus	[5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate
0.03409	-	-	West Nile virus	2-[[(4-methoxyphenyl)amino]methylidene]cyclohexane-1,3-dione
0.03857	-	-	West Nile virus	[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone
0.04771	-	-	West Nile virus	N-(9-ethylcarbazol-3-yl)-2-[(4-ethyl-5-furan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

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Release 2023.1 (January 2023)