Target
Genome polyprotein [1424-1463]/[1502-1685]
Ligand
BDBM24734
Substrate
BDBM24729
Meas. Tech.
In Vitro Enzyme Inhibition
pH
9.5±n/a
Temperature
310.15±n/a K
Ki
11±n/a nM
IC50
60±n/a nM
Citation
 Stoermer, MJChappell, KJLiebscher, SJensen, CMGan, CHGupta, PKXu, WJYoung, PRFairlie, DP Potent cationic inhibitors of West Nile virus NS2B/NS3 protease with serum stability, cell permeability and antiviral activity. J Med Chem 51:5714-21 (2008) [PubMed]  Article 
Target
Name:
Genome polyprotein [1424-1463]/[1502-1685]
Synonyms:
WNV CF40.Gly.NS3Pro | WNV NS2B(H):NS3 | West Nile Virus (WNV) NS2B-NS3 Protease
Type:
Cofactor/Enzyme
Mol. Mass.:
n/a
Description:
It is the catalytically active recombinant WNV protease, consisting of a 40-residue component of cofactor NS2B tethered via a nonapeptide (G4SG4) to the N-terminal 184 residues of NS3.
Components:
This complex has 2 components.
Component 1
Name:
Genome polyprotein [1424-1463]
Synonyms:
Flavivirin protease NS2B regulatory subunit | NS2B | POLG_WNV
Type:
Cofactor Domain
Mol. Mass.:
4431.59
Organism:
West Nile virus (WNV)
Description:
P06935[1424-1463]
Residue:
40
Sequence:
IERTADITWESDAEITGSSERVDVRLDDDGNFQLMNDPGA
  
Component 2
Name:
Genome polyprotein [1502-1685]
Synonyms:
Flavivirin protease NS3 catalytic subunit | NS3 | POLG_WNV
Type:
Catalytic Subunit
Mol. Mass.:
19839.27
Organism:
West Nile virus (WNV)
Description:
P06935[1502-1685]
Residue:
184
Sequence:
GGVLWDTPSPKEYKKGDTTTGVYRIMTRGLLGSYQAGAGVMVEGVFHTLWHTTKGAALMSGEGRLDPYWGSVKEDRLCYGGPWKLQHKWNGHDEVQMIVVEPGKNVKNVQTKPGVFKTPEGEIGAVTLDYPTGTSGSPIVDKNGDVIGLYGNGVIMPNGSYISAIVQGERMEEPAPAGFEPEML
  
Inhibitor
Name:
BDBM24734
Synonyms:
(2S)-6-amino-N-[(1S)-5-amino-1-{[(2S)-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}pentyl]-2-[1-(3-methoxyphenyl)acetamido]hexanamide | Capped tripeptide aldehyde inhibitor, 21
Type:
Small organic molecule
Emp. Form.:
C27H46N8O5
Mol. Mass.:
562.7047
SMILES:
[#6]-[#8]-c1cccc(-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)c1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM24729
Synonyms:
(2S)-6-amino-N-[(1S)-5-amino-1-{[(1S)-4-carbamimidamido-1-[(4-nitrophenyl)carbamoyl]butyl]carbamoyl}pentyl]-2-[(2S)-2-acetamido-4-methylpentanamido]hexanamide | Ac-LKKR-pNA
Type:
Fluorogenic tetrapeptide substrate
Emp. Form.:
C32H55N11O7
Mol. Mass.:
705.8486
SMILES:
CC(C)CC(NC(C)=O)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCC\[NH+]=C(\N)[NH-])C(=O)Nc1ccc(cc1)[N+]([O-])=O
Structure:
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