Crystallization (Comment) | Organism |
---|---|
molecular docking of inhibitors and crystallization in complex with inhibitor 3-([1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl)-6-bromoquinazolin-4(3H)-one | Escherichia coli |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
2-([1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-iodo-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl)-1H-isoindole-1,3(2H)-dione | potent algaecidal activity against Synechocystis sp. PCC 6803 | Escherichia coli | |
3-([1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl)-5-chloroquinazolin-4(3H)-one | - |
Escherichia coli | |
3-([1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl)-6-bromoquinazolin-4(3H)-one | - |
Escherichia coli | |
3-([1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-iodo-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl)-6-bromoquinazolin-4(3H)-one | potent algaecidal activity against Synechocystis sp. PCC 6803 | Escherichia coli | |
3-([1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-iodo-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl)-6-chloro-1,2,3-benzotriazin-4(3H)-one | - |
Escherichia coli |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Escherichia coli | P0AFG8 | Ace, E1 component, cf. EC 1.2.4.1 | - |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.00212 | - |
pH 6.4, 37°C | Escherichia coli | 3-([1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl)-5-chloroquinazolin-4(3H)-one | |
0.00362 | - |
pH 6.4, 37°C | Escherichia coli | 3-([1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-iodo-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl)-6-chloro-1,2,3-benzotriazin-4(3H)-one | |
0.0043 | - |
pH 6.4, 37°C | Escherichia coli | 3-([1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl)-6-bromoquinazolin-4(3H)-one | |
0.0059 | - |
pH 6.4, 37°C | Escherichia coli | 2-([1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-iodo-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl)-1H-isoindole-1,3(2H)-dione | |
8.21 | - |
pH 6.4, 37°C | Escherichia coli | 3-([1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-iodo-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl)-6-bromoquinazolin-4(3H)-one |