Cloned (Comment) | Organism |
---|---|
expession in Pichia pastoris | Dengue virus |
Crystallization (Comment) | Organism |
---|---|
molecular docking of compound 22 shows hydrophobic interactions with Trp50, His51, Arg54, Arg73, Asn74, Asp75, Asn152, and Gly153. The O2 atom of pyrimidine group of compound 22 has two H-bonds, one with the hydroxyl group of Ser135 at 2.76 A and the other with amine group of Asn152 at 2.84 A | Dengue virus |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
2-([[3,6-bis(2,6-dimethylphenyl)-7-oxo-2-thioxo-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]methyl)-7-chloro-4H-pyrido[1,2-a]pyrimidin-4-one | - |
Dengue virus | |
4-[3-acetyl-5-(2-phenylquinolin-4-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]benzoic acid | - |
Dengue virus | |
5-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-[1-[2-(diethylamino)ethyl]-1H-benzimidazol-2-yl]furan-2-carboxamide | - |
Dengue virus |
KM Value [mM] | KM Value Maximum [mM] | Substrate | Comment | Organism | Structure |
---|---|---|---|---|---|
0.0016 | - |
benzoyl-Nle-Lys-Arg-Arg-4-methylcoumarin 7-amide | pH 7.5, 37°C | Dengue virus |
Molecular Weight [Da] | Molecular Weight Maximum [Da] | Comment | Organism |
---|---|---|---|
45000 | - |
x * 45000, NS2B-NS3pro complex, SDS-PAGE | Dengue virus |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Dengue virus | - |
- |
- |
Specific Activity Minimum [µmol/min/mg] | Specific Activity Maximum [µmol/min/mg] | Comment | Organism |
---|---|---|---|
59.3 | - |
pH 7.5, 37°C | Dengue virus |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
benzoyl-Nle-Lys-Arg-Arg-4-methylcoumarin 7-amide + H2O | - |
Dengue virus | benzoyl-Nle-Lys-Arg-Arg + 7-amino-4-methylcoumarin | - |
? |
Subunits | Comment | Organism |
---|---|---|
? | x * 45000, NS2B-NS3pro complex, SDS-PAGE | Dengue virus |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
0.0034 | - |
2-([[3,6-bis(2,6-dimethylphenyl)-7-oxo-2-thioxo-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]methyl)-7-chloro-4H-pyrido[1,2-a]pyrimidin-4-one | serotype 4, pH 7.5, 37°C | Dengue virus | |
0.004 | - |
5-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-[1-[2-(diethylamino)ethyl]-1H-benzimidazol-2-yl]furan-2-carboxamide | serotype 4, pH 7.5, 37°C | Dengue virus | |
0.0049 | - |
4-[3-acetyl-5-(2-phenylquinolin-4-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]benzoic acid | serotype 4, pH 7.5, 37°C | Dengue virus |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.0039 | - |
serotype 4, pH 7.5, 37°C | Dengue virus | 2-([[3,6-bis(2,6-dimethylphenyl)-7-oxo-2-thioxo-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]methyl)-7-chloro-4H-pyrido[1,2-a]pyrimidin-4-one | |
0.0125 | - |
serotype 4, pH 7.5, 37°C | Dengue virus | 4-[3-acetyl-5-(2-phenylquinolin-4-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]benzoic acid | |
0.0156 | - |
serotype 4, pH 7.5, 37°C | Dengue virus | 5-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-[1-[2-(diethylamino)ethyl]-1H-benzimidazol-2-yl]furan-2-carboxamide |