Table 1.
Top 20 ranked compounds with higher libdock scores than Ipatasertib
| Number | Compounds | Libdock Score | Molecular Formula | Chemical Structure |
|---|---|---|---|---|
| 1 | ZINC000014951634 | 168.745 | C32H37N5O5 |  |
| 2 | ZINC000014951658 | 166.943 | C34H38N6O5 |  |
| 3 | ZINC000028968101 | 145.408 | C33H34O7 |  |
| 4 | ZINC000049872065 | 141.722 | C26H40O9 |  |
| 5 | ZINC000002509755 | 140.459 | C23H24N2O4 |  |
| 6 | ZINC000015122022 | 140.179 | C25H28O6 |  |
| 7 | ZINC000002528486 | 139.207 | C23H24N2O4 |  |
| 8 | ZINC000001531664 | 138.246 | C32H22O10 |  |
| 9 | ZINC000013328774 | 137.404 | C23H22O10 |  |
| 10 | ZINC000021992902 | 135.637 | C26H40O8 |  |
| 11 | ZINC000030725991 | 134.058 | C36H38N2O6 |  |
| 12 | ZINC000002526388 | 133.986 | C24H26N2O5 |  |
| 13 | ZINC000008844372 | 133.522 | C22H22O9 |  |
| 14 | ZINC000013378636 | 133.393 | C25H28O5 |  |
| 15 | ZINC000073280937 | 132.993 | C35H37NO8 |  |
| 16 | ZINC000030730842 | 132.136 | C16H23N5O6 |  |
| 17 | ZINC000006528354 | 132.056 | C20H22O6 |  |
| 18 | ZINC000044281738 | 131.796 | C34H26O8 |  |
| 19 | ZINC000028882432 | 131.625 | C26H32O11 |  |
| 20 | ZINC000008214697 | 131.398 | C27H50O6 |  |