Binding information for 4bo9_ligand_1_4.mol2(FDBF01934)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bo9_ligand_1_4.mol2 | 4bo9 | 0.4375 | -6.22 | Cc1occc1 | 6 |
Structure and binding mode of 4bo9_ligand_1_4.mol2(FDBF01934)
Important binding residues for 4bo9_ligand_1_4.mol2(FDBF01934)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4bo9 | PHE107 | -0.59 | -0.24 | -0.83 | 0.31 | -0.52 |
| 4bo9 | VAL110 | -0.52 | 0.18 | -0.34 | -0.28 | -0.62 |
| 4bo9 | LEU114 | -0.76 | -0.13 | -0.89 | 0.03 | -0.85 |
| 4bo9 | PHE107 | -0.50 | 0.18 | -0.32 | -0.02 | -0.34 |
| 4bo9 | VAL110 | -0.49 | 0.12 | -0.37 | -0.17 | -0.55 |
| 4bo9 | LEU114 | -0.73 | -0.21 | -0.94 | 0.06 | -0.87 |
