Reaction Details Report a problem with these data
Target
Genome polyprotein [1394-1440]/[1476-1660,T1585M]
Ligand
BDBM33252
Substrate
BDBM33248
Meas. Tech.
Enzyme Inhibition Assay
IC50
8500±n/a nM
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
More Info.:
Target
Name:
Genome polyprotein [1394-1440]/[1476-1660,T1585M]
Synonyms:
Dengue Virus 3 (DENV3) NS2B-NS3 Protease
Type:
Cofactor/Enzyme
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Genome polyprotein [1394-1440]
Synonyms:
Flavivirus non-structural protein NS2B | NS2B | POLG_DEN3P
Type:
Cofactor Domain
Mol. Mass.:
5254.11
Organism:
Dengue virus 3 (strain S221/03)
Description:
P27915[1394-1440]
Residue:
47
Sequence:
LTVEKAADVTWEEEAEQTGVSHNLMITVDDDGTMRIKDDETENILTV
Component 2
Name:
Genome polyprotein [1476-1660,T1585M]
Synonyms:
Flavivirus NS3 serine protease | NS3 | POLG_DEN3S | pol
Type:
Catalytic Domain
Mol. Mass.:
20135.05
Organism:
Dengue virus 3 (strain S221/03)
Description:
Q6YMS4[1476-1660,T1585M]
Residue:
185
Sequence:
VLWDVPSPPETQKAELEEGVYRIKQQGIFGKTQVGVGVQKEGVFHTMWHVTRGAVLTHNGKRLEPNWASVKKDLISYGGGWRLSAQWQKGEEVQVIAVEPGKNPKNFQTMPGTFQTTTGEIGAIALDFKPGTSGSPIINREGKVVGLYGNGVVTKNGGYVSGIAQTNAEPDGPTPELEEEMFKKR
Inhibitor
Name:
BDBM33252
Synonyms:
phthalazine-based compound, 3
Type:
Small organic molecule
Emp. Form.:
C34H36N8
Mol. Mass.:
556.7032
SMILES:
C1CCC2N=C(NC2C1)c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NC4CCCCC4N3)c3ccccc23)cc1 |c:4,t:28|