Reaction Details
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Target
Genome polyprotein [1066-1250,R1182K]/[1394-1440,K1405R,D1408E]
Ligand
BDBM33252
Substrate
BDBM33248
Meas. Tech.
Enzyme Inhibition Assay (IC50) and Fluorescence Quench Assay (KD)
pH
7.5±n/a
Temperature
310.15±n/a K
IC50
1100±200 nM
Kd
7700±2000 nM
Comments
Hill slope=0.4.Competition was observed between compound and bovine pancreatic trypsin inhibitor (BPTI).
Citation
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Target
Name:
Genome polyprotein [1066-1250,R1182K]/[1394-1440,K1405R,D1408E]
Synonyms:
Dengue 2 NS2B(H):NS3 | Dengue Virus 2 (DENV2) 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,K1405R,D1408E]
Synonyms:
Flavivirus non-structural protein NS2B | NS2B | POLG_DEN2N
Type:
Cofactor Domain
Mol. Mass.:
5197.48
Organism:
Dengue virus 2 (strain TSV01)
Description:
P14340[1394-1440,K1405R,D1408E]
Residue:
47
Sequence:
ADLELERAADVRWEEQAEISGSSPILSITISEDGSMSIKNEEEEQTL
Component 2
Name:
Genome polyprotein [1066-1250,R1182K]
Synonyms:
Flavivirus NS3 serine protease | NS3 | POLG_DEN2T
Type:
Catalytic Domain
Mol. Mass.:
19925.90
Organism:
Dengue virus 2 (strain TSV01)
Description:
n/a
Residue:
185
Sequence:
AGVLWDVPSPPPVGKAELEDGAYRIKQKGILGYSQIGAGVYKEGTFHTMWHVTRGAVLMHKGKRIEPSWADVKKDLISYGGGWKLEGEWKEGEEVQVLALEPGKNPRAVQTKPGLFKTNTGTIGAVSLDFSPGTSGSPIVDKKGKVVGLYGNGVVTRSGAYVSAIAQTEKSIEDNPEIEDDIFRK
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|