Any feedback?
Please rate this page
(literature.php)
(0/150)

BRENDA support

Literature summary for 3.4.21.98 extracted from

  • Knox, J.E.; Ma, N.L.; Yin, Z.; Patel, S.J.; Wang, W.L.; Chan, W.L.; Ranga Rao, K.R.; Wang, G.; Ngew, X.; Patel, V.; Beer, D.; Lim, S.P.; Vasudevan, S.G.; Keller, T.H.
    Peptide inhibitors of West Nile NS3 protease: SAR study of tetrapeptide aldehyde inhibitors (2006), J. Med. Chem., 49, 6585-6590.
    View publication on PubMed
Search for more literature for 3.4.21.98

Application

Application Comment Organism
drug development NS2B/NS3 protease crystal structure provides useful guidance in the drug discovery process for related Flavivirus proteases, given the large degree of homology within the family West Nile virus

Crystallization (Commentary)

Crystallization (Comment) Organism
crystal structure of NS2B-NS3pro cocrystallized with the tetrapeptide aldehyde Bz-nKRR-HS1. S2 pockets are the key peptide recognition sites. A residue capable of both pi-stacking and hydrogen bonding is favored in the S1 pocket, while a positively charged residue is preferred in the S2 pocket West Nile virus

Inhibitors

Inhibitors Comment Organism Structure
Bz-Ala-Lys-Arg-Arg-H
-
 West Nile virus
Bz-D-Nle-Lys-Arg-Arg-H
-
 West Nile virus
Bz-N-Me-Nle-Lys-Arg-Arg-H
-
 West Nile virus
Bz-Nle-Ala-Arg-Arg-H
-
 West Nile virus
Bz-Nle-D-Lys-Arg-Arg-H
-
 West Nile virus
Bz-Nle-Lys-Ala-Arg-H
-
 West Nile virus
Bz-Nle-Lys-Arg-(p-Cl)-Phe-H
-
 West Nile virus
Bz-Nle-Lys-Arg-(p-CN)-Phe-H
-
 West Nile virus
Bz-Nle-Lys-Arg-(p-guanidinyl)-Phe-H
-
 West Nile virus
Bz-Nle-Lys-Arg-(p-Ph)-Phe-H
-
 West Nile virus
Bz-Nle-Lys-Arg-Ala-H
-
 West Nile virus
Bz-Nle-Lys-Arg-Arg-H
-
 West Nile virus
Bz-Nle-Lys-Arg-D-Arg-H
-
 West Nile virus
Bz-Nle-Lys-Arg-His-H
-
 West Nile virus
Bz-Nle-Lys-Arg-Lys-H
-
 West Nile virus
Bz-Nle-Lys-Arg-Phe-H
-
 West Nile virus
Bz-Nle-Lys-Arg-Phg-H
-
 West Nile virus
Bz-Nle-Lys-Arg-Trp-H
-
 West Nile virus
Bz-Nle-Lys-Arg-Tyr-H
-
 West Nile virus
Bz-Nle-Lys-D-Arg-Arg-H
-
 West Nile virus
Bz-Nle-Lys-Lys(Z)-Arg-H
-
 West Nile virus
Bz-Nle-Lys-Lys-Arg-H
-
 West Nile virus
Bz-Nle-Lys-N-Me-Arg-Arg-H
-
 West Nile virus
Bz-Nle-Lys-Phe-Arg-H
-
 West Nile virus
Bz-Nle-N-Me-Lys-Arg-Arg-H
-
 West Nile virus
Bz-Nle-Phe-Arg-Arg-H
-
 West Nile virus
Bz-Nle-Pro-Arg-Arg-H
-
 West Nile virus
Bz-Phe-Lys-Arg-Arg-H
-
 West Nile virus

Organism

Organism UniProt Comment Textmining
West Nile virus
-
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
Bz-nKRR-7-amido-4-methylcoumarin + H2O
-
 West Nile virus ?
-
 ?

Synonyms

Synonyms Comment Organism
NS3 protease
-
 West Nile virus

Cofactor

Cofactor Comment Organism Structure
additional information NS2B domain important in substrate-based inhibitor binding West Nile virus

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.7
-
-
 West Nile virus Bz-Ala-Lys-Arg-Arg-H
1.2
-
-
 West Nile virus Bz-Phe-Lys-Arg-Arg-H
1.9
-
-
 West Nile virus Bz-Nle-Lys-Lys-Arg-H
2.6
-
-
 West Nile virus Bz-D-Nle-Lys-Arg-Arg-H
3.8
-
-
 West Nile virus Bz-Nle-Ala-Arg-Arg-H
4.1
-
-
 West Nile virus Bz-Nle-Lys-Arg-Arg-H
4.2
-
-
 West Nile virus Bz-Nle-Phe-Arg-Arg-H
4.6
-
-
 West Nile virus Bz-Nle-Lys-Arg-Ala-H
9.3
-
-
 West Nile virus Bz-N-Me-Nle-Lys-Arg-Arg-H
10
-
-
 West Nile virus Bz-Nle-Lys-Arg-Trp-H
11.8
-
-
 West Nile virus Bz-Nle-Lys-Arg-(p-guanidinyl)-Phe-H
14
-
-
 West Nile virus Bz-Nle-Lys-Arg-D-Arg-H
14.3
-
-
 West Nile virus Bz-Nle-Pro-Arg-Arg-H
22.7
-
-
 West Nile virus Bz-Nle-Lys-Arg-(p-Ph)-Phe-H
23.8
-
-
 West Nile virus Bz-Nle-D-Lys-Arg-Arg-H
41.5
-
-
 West Nile virus Bz-Nle-Lys-Arg-Tyr-H
43.1
-
-
 West Nile virus Bz-Nle-Lys-Arg-His-H
57.7
-
-
 West Nile virus Bz-Nle-Lys-Arg-Lys-H
57.8
-
-
 West Nile virus Bz-Nle-Lys-N-Me-Arg-Arg-H
62
-
-
 West Nile virus Bz-Nle-Lys-Arg-(p-CN)-Phe-H
73.6
-
-
 West Nile virus Bz-Nle-N-Me-Lys-Arg-Arg-H
90.9
-
-
 West Nile virus Bz-Nle-Lys-Arg-Phg-H
99.5
-
-
 West Nile virus Bz-Nle-Lys-Lys(Z)-Arg-H
108
-
-
 West Nile virus Bz-Nle-Lys-Phe-Arg-H
109.8
-
-
 West Nile virus Bz-Nle-Lys-Arg-Phe-H
128.6
-
-
 West Nile virus Bz-Nle-Lys-D-Arg-Arg-H
202.8
-
-
 West Nile virus Bz-Nle-Lys-Arg-(p-Cl)-Phe-H
262
-
-
 West Nile virus Bz-Nle-Lys-Ala-Arg-H