Compd | Dihydrofolate reductase (PDB ID: 3SRW) | Bacterial DNA gyrase (PDB ID: 4ZVI) | UDP-N-Acetylmuramoyl-l-alanine:D-glutamate ligase (PDB ID: 1UAG) | |||
---|---|---|---|---|---|---|
Glide energy | Docking score | Glide energy | Docking score | Glide energy | Docking score | |
C-6 | − 53.318 | − 8.905 | − 40.196 | − 2.998 | − 52.199 | − 6.816 |
C-7 | − 48.033 | − 6.733 | − 48.864 | − 3.284 | − 44.529 | − 5.43 |
C-8 | − 51.794 | − 9.221 | − 40.172 | − 2.785 | − 47.141 | − 4.578 |
C-15 | − 51.925 | − 7.884 | − 36.247 | − 2.811 | − 52.048 | − 6.752 |
C-16 | − 46.398 | − 6.641 | − 42.473 | − 3.998 | − 48.58 | − 6.623 |
C-17 | − 53.159 | − 5.404 | − 48.849 | − 2.952 | − 54.593 | − 5.738 |
C-20 | − 44.995 | − 7.949 | − 37.737 | − 2.292 | − 47.809 | − 5.426 |
C-21 | − 48.438 | − 7.822 | − 39.35 | − 0.388 | − 48.855 | − 7.095 |
C-22 | − 62.888 | − 7.544 | − 44.539 | − 4.174 | − 47.117 | − 2.358 |
C-23 | − 51.842 | − 7.466 | − 38.982 | − 3.514 | − 43.714 | − 5.357 |
C-24 | − 49.104 | − 8.713 | − 37.46 | − 3.745 | − 45.616 | − 5.746 |
C-25 | − 52.339 | − 8.762 | − 34.594 | − 1.489 | − 40.456 | − 4.682 |
C-27 | − 55.625 | − 8.632 | − 44.69 | − 3.645 | − 51.016 | − 6.063 |
Std 1 | − 48.417 | − 5.255 | − 36.5 | − 4.146 | − 46.549 | − 5.557 |
Std 2 | − 53.011 | − 5.387 | − 46.046 | − 4.137 | − 57.925 | − 5.537 |
Std 3 | − 45.97 | − 7.349 | − 48.864 | − 3.284 | − 36.076 | − 5.147 |
Std 4 | − 36.186 | − 8.106 | − 36.281 | − 4.086 | − 33.133 | − 5.702 |
Std 5 | – | – | – | – | − 40.194 | − 4.07 |