Binding information for 4w9n_ligand_1_1.mol2(FDBF03634)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4w9n_ligand_1_1.mol2 | 4w9n | 1 | -6.98 | Oc1c(cc(cc1)Cl)Cl | 9 |
Structure and binding mode of 4w9n_ligand_1_1.mol2(FDBF03634)
Important binding residues for 4w9n_ligand_1_1.mol2(FDBF03634)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4w9n | LEU1748 | -0.42 | 0.45 | 0.03 | -0.41 | -0.38 |
| 4w9n | LEU1753 | -0.77 | -0.58 | -1.35 | 0.76 | -0.59 |
| 4w9n | PHE1766 | -0.75 | 0.03 | -0.72 | 0.14 | -0.58 |
| 4w9n | LEU1780 | -1.15 | -0.98 | -2.13 | 1.31 | -0.81 |
| 4w9n | ILE1784 | -0.97 | -0.04 | -1.01 | -0.04 | -1.05 |
| 4w9n | PHE1791 | -1.92 | 0.00 | -1.92 | 0.27 | -1.64 |
| 4w9n | PHE1791 | -1.08 | -0.57 | -1.65 | 0.59 | -1.07 |
