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Target
Genome polyprotein [1066-1250,R1182K]/[1394-1440,K1405R,D1408E]
Ligand
BDBM33254
Substrate
BDBM33248
Meas. Tech.
Enzyme Inhibition Assay (IC50) and Fluorescence Quench Assay (KD)
pH
7.5000±n/a
Temperature
310.1500±n/a K
IC50
5800±2300 nM
Kd
18600±n/a nM
Comments
Hill slope=1.6.Competition was observed between compound and bovine pancreatic trypsin inhibitor (BPTI).
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 [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 | POLG_DEN2N | NS2B
Type:
Cofactor Domain
Mol. Mass.:
5197.48
Organism:
Dengue virus 2
Description:
P14340[1394-1440,K1405R,D1408E]
Residue:
47
Sequence:
ADLELERAADVRWEEQAEISGSSPILSITISEDGSMSIKNEEEEQTL
  
Component 2
Name:
Genome polyprotein [1066-1250,R1182K]
Synonyms:
Flavivirus NS3 serine protease | POLG_DEN2T | NS3
Type:
Catalytic Domain
Mol. Mass.:
19925.90
Organism:
Dengue virus 2
Description:
n/a
Residue:
185
Sequence:
AGVLWDVPSPPPVGKAELEDGAYRIKQKGILGYSQIGAGVYKEGTFHTMWHVTRGAVLMHKGKRIEPSWADVKKDLISYGGGWKLEGEWKEGEEVQVLALEPGKNPRAVQTKPGLFKTNTGTIGAVSLDFSPGTSGSPIVDKKGKVVGLYGNGVVTRSGAYVSAIAQTEKSIEDNPEIEDDIFRK
  
Inhibitor
Name:
BDBM33254
Synonyms:
phthalazine-based compound, 5
Type:
Small organic molecule
Emp. Form.:
C24H23N7
Mol. Mass.:
409.20
SMILES:
NCc1ccc(Nc2nnc(Nc3ccc(cc3)C3=NCCN3)c3ccccc23)cc1 |t:19|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM33248
Synonyms:
benzoyl-Nle-Lys-Arg-Arg-7-amido-4-methylcoumarin | Bz-nKRR-AMC | Bz-Nle-Lys-Arg-Arg-AMC
Type:
fluorogenic tetrapeptide substrate
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: