EC Number | Crystallization (Comment) | Organism |
---|---|---|
2.7.4.9 | modeling of enzyme-inhibitor complexes and elaboration of a QSAR model resulting in a set of proposed inhibitors | Mycobacterium tuberculosis |
EC Number | Inhibitors | Comment | Organism | Structure |
---|---|---|---|---|
2.7.4.9 | 1-[(2E)-4-(5,6-dimethoxy-1-oxo-1,3-dihydro-2H-isoindol-2-yl)but-2-en-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione | inhibitor identified by 3D-QSAR pharmacophore generation | Mycobacterium tuberculosis | |
2.7.4.9 | 1-[(2E)-4-[5,6-bis(hydroxymethyl)-2-oxobenzo[cd]indol-1(2H)-yl]but-2-en-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione | inhibitor identified by 3D-QSAR pharmacophore generation | Mycobacterium tuberculosis | |
2.7.4.9 | 5-methoxy-2-[(2E)-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)but-2-en-1-yl]-1H-isoindole-1,3(2H)-dione | inhibitor identified by 3D-QSAR pharmacophore generation | Mycobacterium tuberculosis |
EC Number | Organism | UniProt | Comment | Textmining |
---|---|---|---|---|
2.7.4.9 | Mycobacterium tuberculosis | P9WKE1 | - |
- |
2.7.4.9 | Mycobacterium tuberculosis H37Rv | P9WKE1 | - |
- |
EC Number | Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|---|
2.7.4.9 | 0.000004 | - |
1-[(2E)-4-[5,6-bis(hydroxymethyl)-2-oxobenzo[cd]indol-1(2H)-yl]but-2-en-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione | predicted value, pH not specified in the publication, temperature not specified in the publication | Mycobacterium tuberculosis | |
2.7.4.9 | 0.000004 | - |
5-methoxy-2-[(2E)-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)but-2-en-1-yl]-1H-isoindole-1,3(2H)-dione | predicted value, pH not specified in the publication, temperature not specified in the publication | Mycobacterium tuberculosis | |
2.7.4.9 | 0.000004 | - |
1-[(2E)-4-(5,6-dimethoxy-1-oxo-1,3-dihydro-2H-isoindol-2-yl)but-2-en-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione | predicted value, pH not specified in the publication, temperature not specified in the publication | Mycobacterium tuberculosis |