Reaction Details Report a problem with these data
Target
Genome polyprotein [1393-1439,E1407V]/[1476-1660,R1508K,A1566M]
Ligand
BDBM33259
Substrate
BDBM33248
Meas. Tech.
Enzyme Inhibition Assay
pH
7.5±n/a
Temperature
310.15±n/a K
IC50
11800±900 nM
Comments
Hill slope=1.05.
Citation
 Bodenreider, C; Beer, D; Keller, TH; Sonntag, S; Wen, D; Yap, L; Yau, YH; Shochat, SG; Huang, D; Zhou, T; Caflisch, A; Su, XC; Ozawa, K; Otting, G; Vasudevan, SG; Lescar, J; Lim, SP A fluorescence quenching assay to discriminate between specific and nonspecific inhibitors of dengue virus protease. Anal Biochem 395:195-204 (2009) [PubMed]  Article 
Target
Name:
Genome polyprotein [1393-1439,E1407V]/[1476-1660,R1508K,A1566M]
Synonyms:
Dengue Virus 1 (DENV1) NS2B-NS3 Protease
Type:
Cofactor/Enzyme
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Genome polyprotein [1393-1439,E1407V]
Synonyms:
Flavivirus non-structural protein NS2B | NS2B | POLG_DEN1S
Type:
Cofactor Domain
Mol. Mass.:
5202.48
Organism:
Dengue virus 1(Hawaii)
Description:
P33478[1393-1439,E1407V]
Residue:
47
Sequence:
ADLSLEKAAEVSWEVEAEHSGASHNILVEVQDDGTMKIKDEERDDTL
  
Component 2
Name:
Genome polyprotein [1476-1660,R1508K,A1566M]
Synonyms:
Flavivirus NS3 serine protease | NS3 | POLG_DEN1W
Type:
Catalytic Domain
Mol. Mass.:
19899.28
Organism:
Dengue virus 1(Hawaii)
Description:
P17763[1476-1660,R1508K,A1566M]
Residue:
185
Sequence:
SGVLWDTPSPPEVERAVLDDGIYRILQRGLLGKSQVGVGVFQEGVFHTMWHVTRGAVLMYQGKRLEPSWASVKKDLISYGGGWRFQGSWNMGEEVQVIAVEPGKNPKNVQTAPGTFKTPEGEVGAIALDFKPGTSGSPIVNREGKIVGLYGNGVVTTSGTYVSAIAQAKASQEGPLPEIEDEVFR
  
Inhibitor
Name:
BDBM33259
Synonyms:
Bz-NKRR-H | Bz-Nle-Lys-Arg-Arg-H | CHEMBL256877
Type:
n/a
Emp. Form.:
C31H53N11O5
Mol. Mass.:
659.8232
SMILES:
[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r|
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: