Binding information for 4zow_ligand_1_0.mol2(FDBF05977)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zow_ligand_1_0.mol2 | 4zow | 0.5 | -5.65 | C(Cl)(Cl)C(=O)N | 6 |
Structure and binding mode of 4zow_ligand_1_0.mol2(FDBF05977)
Important binding residues for 4zow_ligand_1_0.mol2(FDBF05977)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4zow | TYR30 | -1.39 | -0.67 | -2.06 | 0.80 | -1.26 |
| 4zow | LEU62 | -0.48 | -0.26 | -0.74 | 0.28 | -0.45 |
| 4zow | LEU119 | -0.62 | 0.43 | -0.19 | -0.39 | -0.57 |
| 4zow | LEU236 | -0.48 | -0.26 | -0.74 | 0.18 | -0.56 |
