Literature summary for 3.4.21.91 extracted from

Yin, Z.; Patel, S.J.; Wang, W.; Wang, G.; Chan, W.; Rao, K.R.; Alam, J.; Jeyaraj, D.A.; Ngew, X.; Patel, V.; Beer, D.; Lim, S.P.; Vasudevan, S.G.; Keller, T.H.
Peptide inhibitors of dengue virus NS3 protease. Part 1: Warhead (2006), Bioorg. Med. Chem. Lett., 16, 36-39.

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Inhibitors

Inhibitors	Comment	Organism	Structure
Bz-Nle-Lys-Arg-Arg(OH)-CONH-Bn	-	Dengue virus
Bz-Nle-Lys-Arg-Arg-B(OH)2	-	Dengue virus
Bz-Nle-Lys-Arg-Arg-benzoxazole	-	Dengue virus
Bz-Nle-Lys-Arg-Arg-CF3	-	Dengue virus
Bz-Nle-Lys-Arg-Arg-H	-	Dengue virus
Bz-Nle-Lys-Arg-Arg-NH2	-	Dengue virus
Bz-Nle-Lys-Arg-Arg-NHSO2CF3	-	Dengue virus
Bz-Nle-Lys-Arg-Arg-OH	-	Dengue virus
Bz-Nle-Lys-Arg-Arg-thiazole	-	Dengue virus
Bz-Nle-Lys-Thr-Arg-H	-	Dengue virus
Bz-Nle-Lys-Thr-Arg-NH2	-	Dengue virus
Bz-Nle-Lys-Thr-Arg-OH	-	Dengue virus
additional information	cleavage products and their analogs do not appreciably inhibit the Dengue NS3 protease. Inhibitors with electrophilic warheads, such as aldehyde, trifluoromethyl ketone, and boronic acid, are needed to see effective inhibition of the enzyme activity. Among warheads, tetrapeptide boronic acid has the highest affinity	Dengue virus

Organism

Organism	UniProt	Comment	Textmining
Dengue virus	-	-	-

Synonyms

Synonyms	Comment	Organism
NS3 protease	-	Dengue virus

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism	Structure
0.000043	-	Bz-Nle-Lys-Arg-Arg-B(OH)2	-	Dengue virus
0.00085	-	Bz-Nle-Lys-Arg-Arg-CF3	-	Dengue virus
0.0058	-	Bz-Nle-Lys-Arg-Arg-H	-	Dengue virus
0.0428	-	Bz-Nle-Lys-Arg-Arg-thiazole	-	Dengue virus
0.0829	-	Bz-Nle-Lys-Arg-Arg-benzoxazole	-	Dengue virus
0.1275	-	Bz-Nle-Lys-Arg-Arg-NH2	-	Dengue virus
0.178	-	Bz-Nle-Lys-Arg-Arg(OH)-CONH-Bn	-	Dengue virus
0.5	-	Bz-Nle-Lys-Thr-Arg-OH	-	Dengue virus
0.5	-	Bz-Nle-Lys-Arg-Arg-OH	-	Dengue virus
0.5	-	Bz-Nle-Lys-Thr-Arg-NH2	-	Dengue virus
0.5	-	Bz-Nle-Lys-Arg-Arg-NHSO2CF3	-	Dengue virus
0.5	-	Bz-Nle-Lys-Thr-Arg-H	-	Dengue virus

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Release 2023.1 (January 2023)