Table 3.
The 21 drug-like compounds with their estimated IC50 values and CDOCKER interaction energy greater than 37.786 (kal/mol).
| Name | Estimated IC50 (nM) | Interaction energy (kal/mol) |
|---|---|---|
| NSC 136954 | 1.989 | 61.239 |
| NSC 70804 | 1.682 | 58.967 |
| NSC 158029 | 1.885 | 57.944 |
| NSC 603427 | 1.87 | 56.963 |
| NSC 57782 | 1.6855 | 56.54 |
| NSC 16739 | 1.5385 | 56.342 |
| NSC 720227 | 1.914 | 55.839 |
| NSC 618702 | 1.862 | 55.196 |
| NSC 195178 | 1.7015 | 51.351 |
| NSC 653142 | 1.557 | 51.19 |
| NSC 653143 | 1.577 | 50.055 |
| NSC 32200 | 1.901 | 49.439 |
| NSC 342015 | 1.6515 | 47.327 |
| NSC 343685 | 1.7615 | 46.436 |
| NSC 205750 | 1.875 | 45.542 |
| NSC 96538 | 1.705 | 44.344 |
| NSC 210455 | 1.7935 | 42.258 |
| NSC 314654 | 1.947 | 42.082 |
| NSC 179894 | 1.6135 | 41.707 |
| NSC 91710 | 1.701 | 40.533 |
| NSC 370907 | 1.8785 | 40.502 |