Table 2.
Drugs dataset binding-sites bound to raloxifen found similar to 3QP4_1
| Drugs binding-site | Name of the structure | Tanimoto | Zx | Posea | RMSD Å | CF |
|---|---|---|---|---|---|---|
| 1ERR_RAL_600_A_- | Estrogen receptor | 0.3679 | 3.26 | Best RMSD | 1.88 | −103.69 |
| Best CF | 2.97 | −225.67 | ||||
| 1QKN_RAL_600_A_- | Estrogen receptor beta | 0.3629 | 3.07 | Best RMSD | 1.99 | −207.33 |
| Best CF | 4.84 | −238.85 | ||||
| 2QXS_RAL_600_A_- | Estrogen receptor | 0.3542 | 2.99 | - | - | - |
| 2JFA_RAL_600_A_- | Estrogen receptor | 0.3449 | 2.82 | - | - | - |
aIndicates if the RMSD and CF information given in the adjacent columns are from the pose with the best RMSD or with the best docking score (CF)