Target | Target (PDB ID) | Target structure | Compound | TotalScore | Crash | Polar |
---|---|---|---|---|---|---|
ESR1 | 7BAA | Linoleyl acetate | 8.3251 | -0.9671 | 1.8737 | |
Cholesteryl palmitate | 7.7857 | -1.4484 | 1.5698 | |||
Arachidonic acid | 7.3428 | -1.5082 | 2.3671 | |||
Beta-sitosterol | 5.9472 | -0.4759 | 1.1488 | |||
Cholesterol | 5.0026 | -1.3359 | 1.3577 | |||
Cerevisterol | 2.8532 | -2.9468 | 2.7649 | |||
Peroxyergosterol | 2.8468 | -3.9172 | 1.1674 | |||
SCR | 7NG7 |
| Linoleyl acetate | 10.7475 | -1.4934 | 1.1177 |
Cholesteryl palmitate | 10.0593 | -2.3824 | 1.0774 | |||
Arachidonic acid | 9.7387 | -1.2446 | 2.2609 | |||
Beta-sitosterol | 5.534 | -1.7157 | 1.4174 | |||
Cholesterol | 4.8613 | -2.5563 | 1.1546 | |||
Cerevisterol | 1.1292 | -10.2949 | 2.094 | |||
Peroxyergosterol | 4.7896 | -1.4452 | 0.0031 | |||
JAK2 | 3UGC |
| Linoleyl acetate | 9.1788 | -0.6585 | 1.0985 |
Cholesteryl palmitate | 10.7189 | -1.9226 | 1.1604 | |||
Arachidonic acid | 8.88 | -1.5142 | 4.202 | |||
Beta-sitosterol | 6.0178 | -1.5458 | 0.9794 | |||
Cholesterol | 7.487 | -1.7915 | 1.3683 | |||
Cerevisterol | 6.8316 | -1.4211 | 1.3597 | |||
Peroxyergosterol | 7.1444 | -0.7567 | 1.3823 | |||
PIK3CA | 7JIU |
| Linoleyl acetate | 8.2547 | -0.8585 | 1.1105 |
Cholesteryl palmitate | 10.453 | -1.8973 | 1.1969 | |||
Arachidonic acid | 8.133 | -0.5848 | 2.1951 | |||
Beta-sitosterol | 5.9831 | -1.5696 | 0.9443 | |||
Cholesterol | 6.4201 | -1.1136 | 0.0312 | |||
Cerevisterol | 7.6627 | -1.7372 | 2.8771 | |||
Peroxyergosterol | 5.8684 | -1.1701 | 0.62 | |||
PPARG | 6MS7 |
| Linoleyl acetate | 9.6126 | -2.6586 | 1.7291 |
Cholesteryl palmitate | 7.714 | -2.5063 | 1.1852 | |||
Arachidonic acid | 10.321 | -2.9074 | 1.933 | |||
Beta-sitosterol | 4.5381 | -5.0033 | 0.8153 | |||
Cholesterol | 5.2478 | -1.4658 | 0.004 | |||
Cerevisterol | 3.5104 | -4.1487 | 0.0116 | |||
Peroxyergosterol | 3.9174 | -2.8043 | 1.1204 | |||
MAPK1 | 8AOJ |
| Linoleyl acetate | 5.5979 | -0.8926 | 1.6518 |
Cholesteryl palmitate | 6.0008 | -1.342 | 0 | |||
Arachidonic acid | 5.6337 | -1.7517 | 1.1426 | |||
Beta-sitosterol | 5.709 | -1.7267 | 1.2469 | |||
Cholesterol | 6.1031 | -1.2571 | 1.0163 | |||
Cerevisterol | 3.9207 | -1.32 | 2.8704 | |||
Peroxyergosterol | 5.3368 | -1.1662 | 1.6262 |