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Target
Genome polyprotein [1517-1688]/Mastoparan-2 [1420-1466]
Ligand
BDBM33247
Substrate
BDBM33248
Meas. Tech.
WNV Protease Inhibition Assay
pH
8.5±n/a
Temperature
310.15±n/a K
IC50
2800±100 nM
Citation
 Ekonomiuk, D; Su, XC; Ozawa, K; Bodenreider, C; Lim, SP; Otting, G; Huang, D; Caflisch, A Flaviviral protease inhibitors identified by fragment-based library docking into a structure generated by molecular dynamics. J Med Chem 52:4860-8 (2009) [PubMed]  Article 
Target
Name:
Genome polyprotein [1517-1688]/Mastoparan-2 [1420-1466]
Synonyms:
West Nile Virus (WNV) NS2B-NS3 Protease
Type:
Cofactor/Enzyme
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Mastoparan-2 [1420-1466]
Synonyms:
Flavivirin protease NS2B regulatory subunit | MAST2_PROEX | NS2B
Type:
Cofactor Domain
Mol. Mass.:
6087.97
Organism:
West Nile virus (WNV)
Description:
P69035[1420-1466]
Residue:
54
Sequence:
GSHMLETDMWIERTADITWESDAEITGSSERVDVRLDDDGNFQLMNDPGAPWKG
  
Component 2
Name:
Genome polyprotein [1517-1688]
Synonyms:
Flavivirin protease NS3 catalytic subunit | NS3 Protease | POLG_WNV
Type:
Catalytic Subunit
Mol. Mass.:
18566.91
Organism:
West Nile virus (WNV)
Description:
P06935[1517-1688]
Residue:
172
Sequence:
GDTTTGVYRIMTRGLLGSYQAGAGVMVEGVFHTLWHTTKGAALMSGEGRLDPYWGSVKEDRLCYGGPWKLQHKWNGHDEVQMIVVEPGKNVKNVQTKPGVFKTPEGEIGAVTLDYPTGTSGSPIVDKNGDVIGLYGNGVIMPNGSYISAIVQGERMEEPAPAGFEPEMLRKK
  
Inhibitor
Name:
BDBM33247
Synonyms:
benzenecarboximidamide, 1
Type:
Small organic molecule
Emp. Form.:
C15H16N6O
Mol. Mass.:
296.3271
SMILES:
NC(=N)c1cccc(NC(=O)Nc2cccc(c2)C(N)=N)c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM33248
Synonyms:
Bz-Nle-Lys-Arg-Arg-AMC | Bz-nKRR-AMC | benzoyl-Nle-Lys-Arg-Arg-7-amido-4-methylcoumarin
Type:
fluorogenic tetrapeptide substrate
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: