Application | Comment | Organism |
---|---|---|
analysis | SARS-CoV-2-infected Vero E6 cell viability assay for detection of antiviral activity | Severe acute respiratory syndrome coronavirus 2 |
analysis | SARS-CoV-2-infected Vero E6 cell viability assay for detection of antiviral activity | severe acute respiratory syndrome coronavirus |
Crystallization (Comment) | Organism |
---|---|
structures of SARS-CoV-1 and SARS-CoV-2 3CLpro enzymes in complex with multiple ML300-based inhibitors. The inhibitors utilize a noncovalent mode of action and complex in a noncanonical binding mode | Severe acute respiratory syndrome coronavirus 2 |
structures of SARS-CoV-1 and SARS-CoV-2 3CLpro enzymes in complex with multiple ML300-based inhibitors. The inhibitors utilize a noncovalent mode of action and complex in a noncanonical binding mode | severe acute respiratory syndrome coronavirus |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
2-(1H-benzotriazol-1-yl)-N-[4-(1H-imidazol-4-yl)phenyl]-N-[(thiophen-3-yl)methyl]acetamide | - |
severe acute respiratory syndrome coronavirus | |
2-(1H-benzotriazol-1-yl)-N-[4-(1H-imidazol-4-yl)phenyl]-N-[(thiophen-3-yl)methyl]acetamide | cytopathic effect inhibition assay, EC50 value 0.0017 microM | Severe acute respiratory syndrome coronavirus 2 | |
2-(1H-benzotriazol-1-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-N-[(thiophen-3-yl)methyl]acetamide | - |
severe acute respiratory syndrome coronavirus | |
2-(1H-benzotriazol-1-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-N-[(thiophen-3-yl)methyl]acetamide | cytopathic effect inhibition assay, EC50 value 0.0058 microM | Severe acute respiratory syndrome coronavirus 2 | |
2-(1H-benzotriazol-1-yl)-N-[4-(pyridin-3-yl)phenyl]-N-[(thiophen-3-yl)methyl]acetamide | - |
severe acute respiratory syndrome coronavirus | |
2-(1H-benzotriazol-1-yl)-N-[4-(pyridin-3-yl)phenyl]-N-[(thiophen-3-yl)methyl]acetamide | cytopathic effect inhibition assay, EC50 value 0.012 microM | Severe acute respiratory syndrome coronavirus 2 | |
2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)-N-[4-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]acetamide | - |
severe acute respiratory syndrome coronavirus | |
2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)-N-[4-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]acetamide | cytopathic effect inhibition assay, EC50 value 0.0088 microM | Severe acute respiratory syndrome coronavirus 2 | |
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide | - |
severe acute respiratory syndrome coronavirus | |
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide | cytopathic effect inhibition assay, EC50 value 0.0023 microM | Severe acute respiratory syndrome coronavirus 2 | |
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide | - |
severe acute respiratory syndrome coronavirus | |
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide | cytopathic effect inhibition assay, EC50 value 0.0029 microM | Severe acute respiratory syndrome coronavirus 2 | |
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(3-pyridyl)phenyl]acetamide | - |
severe acute respiratory syndrome coronavirus | |
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(3-pyridyl)phenyl]acetamide | cytopathic effect inhibition assay, EC50 value 0.0076 microM | Severe acute respiratory syndrome coronavirus 2 | |
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[5-(1H-pyrazol-4-yl)-2-pyridyl]acetamide | - |
severe acute respiratory syndrome coronavirus | |
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[5-(1H-pyrazol-4-yl)-2-pyridyl]acetamide | cytopathic effect inhibition assay, EC50 value 0.0019 microM | Severe acute respiratory syndrome coronavirus 2 | |
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[6-(1H-pyrazol-4-yl)-3-pyridyl]acetamide | - |
severe acute respiratory syndrome coronavirus | |
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[6-(1H-pyrazol-4-yl)-3-pyridyl]acetamide | cytopathic effect inhibition assay, EC50 value 0.0038 microM | Severe acute respiratory syndrome coronavirus 2 | |
ML300 | - |
severe acute respiratory syndrome coronavirus | |
ML300 | cytopathic effect inhibition assay, EC50 value 0.020 microM | Severe acute respiratory syndrome coronavirus 2 | |
N-[4-(1H-imidazol-4-yl)phenyl]-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)acetamide | - |
severe acute respiratory syndrome coronavirus | |
N-[4-(1H-imidazol-4-yl)phenyl]-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)acetamide | cytopathic effect inhibition assay, EC50 value 0.0005 microM | Severe acute respiratory syndrome coronavirus 2 | |
N-[4-(1H-pyrazol-4-yl)phenyl]-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)acetamide | - |
severe acute respiratory syndrome coronavirus | |
N-[4-(1H-pyrazol-4-yl)phenyl]-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)acetamide | cytopathic effect inhibition assay, EC50 value 0.0012 microM | Severe acute respiratory syndrome coronavirus 2 |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
severe acute respiratory syndrome coronavirus | P0C6X7 | i.e. replicase polyprotein 1ab | - |
Severe acute respiratory syndrome coronavirus 2 | P0DTD1 | i.e. replicase polyprotein 1ab | - |
Synonyms | Comment | Organism |
---|---|---|
3cLpro | - |
Severe acute respiratory syndrome coronavirus 2 |
3cLpro | - |
severe acute respiratory syndrome coronavirus |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.019 | - |
pH 7.5, 25°C | severe acute respiratory syndrome coronavirus | N-[4-(1H-imidazol-4-yl)phenyl]-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)acetamide | |
0.02 | - |
pH 7.5, 25°C | Severe acute respiratory syndrome coronavirus 2 | ML300 | |
0.02 | - |
pH 7.5, 25°C | severe acute respiratory syndrome coronavirus | ML300 | |
0.063 | - |
pH 7.5, 25°C | Severe acute respiratory syndrome coronavirus 2 | 2-(1H-benzotriazol-1-yl)-N-[4-(1H-imidazol-4-yl)phenyl]-N-[(thiophen-3-yl)methyl]acetamide | |
0.068 | - |
pH 7.5, 25°C | Severe acute respiratory syndrome coronavirus 2 | N-[4-(1H-imidazol-4-yl)phenyl]-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)acetamide | |
0.106 | - |
pH 7.5, 25°C | severe acute respiratory syndrome coronavirus | 2-(1H-benzotriazol-1-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-N-[(thiophen-3-yl)methyl]acetamide | |
0.109 | - |
pH 7.5, 25°C | Severe acute respiratory syndrome coronavirus 2 | 2-(1H-benzotriazol-1-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-N-[(thiophen-3-yl)methyl]acetamide | |
0.148 | - |
pH 7.5, 25°C | severe acute respiratory syndrome coronavirus | 2-(1H-benzotriazol-1-yl)-N-[4-(1H-imidazol-4-yl)phenyl]-N-[(thiophen-3-yl)methyl]acetamide | |
0.171 | - |
pH 7.5, 25°C | Severe acute respiratory syndrome coronavirus 2 | 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[5-(1H-pyrazol-4-yl)-2-pyridyl]acetamide | |
0.197 | - |
pH 7.5, 25°C | Severe acute respiratory syndrome coronavirus 2 | 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide | |
0.206 | - |
pH 7.5, 25°C | severe acute respiratory syndrome coronavirus | 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide | |
0.208 | - |
pH 7.5, 25°C | severe acute respiratory syndrome coronavirus | 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide | |
0.214 | - |
pH 7.5, 25°C | severe acute respiratory syndrome coronavirus | 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[5-(1H-pyrazol-4-yl)-2-pyridyl]acetamide | |
0.25 | - |
pH 7.5, 25°C | severe acute respiratory syndrome coronavirus | 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(3-pyridyl)phenyl]acetamide | |
0.27 | - |
pH 7.5, 25°C | Severe acute respiratory syndrome coronavirus 2 | N-[4-(1H-pyrazol-4-yl)phenyl]-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)acetamide | |
0.328 | - |
pH 7.5, 25°C | Severe acute respiratory syndrome coronavirus 2 | 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide | |
0.333 | - |
pH 7.5, 25°C | Severe acute respiratory syndrome coronavirus 2 | 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[6-(1H-pyrazol-4-yl)-3-pyridyl]acetamide | |
0.334 | - |
pH 7.5, 25°C | severe acute respiratory syndrome coronavirus | N-[4-(1H-pyrazol-4-yl)phenyl]-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)acetamide | |
0.336 | - |
pH 7.5, 25°C | severe acute respiratory syndrome coronavirus | 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[6-(1H-pyrazol-4-yl)-3-pyridyl]acetamide | |
0.39 | - |
pH 7.5, 25°C | Severe acute respiratory syndrome coronavirus 2 | 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(3-pyridyl)phenyl]acetamide | |
0.657 | - |
pH 7.5, 25°C | severe acute respiratory syndrome coronavirus | 2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)-N-[4-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]acetamide | |
0.746 | - |
pH 7.5, 25°C | Severe acute respiratory syndrome coronavirus 2 | 2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)-N-[4-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]acetamide | |
0.93 | - |
pH 7.5, 25°C | severe acute respiratory syndrome coronavirus | 2-(1H-benzotriazol-1-yl)-N-[4-(pyridin-3-yl)phenyl]-N-[(thiophen-3-yl)methyl]acetamide | |
0.95 | - |
pH 7.5, 25°C | Severe acute respiratory syndrome coronavirus 2 | 2-(1H-benzotriazol-1-yl)-N-[4-(pyridin-3-yl)phenyl]-N-[(thiophen-3-yl)methyl]acetamide |