Binding information for 4oc6_ligand_4_1380.mol2(FDBF00695)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4oc6_ligand_4_1380.mol2 | 4oc6 | 0.848485 | -7.14 | c1(ccccc1)CC[C@@H](O)C | 11 |
Structure and binding mode of 4oc6_ligand_4_1380.mol2(FDBF00695)
Important binding residues for 4oc6_ligand_4_1380.mol2(FDBF00695)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4oc6 | VAL31 | -0.34 | -1.03 | -1.37 | 0.89 | -0.48 |
| 4oc6 | GLY35 | -0.58 | -0.52 | -1.1 | -0.49 | -1.59 |
| 4oc6 | TYR78 | -1.69 | -0.08 | -1.77 | 0.70 | -1.06 |
| 4oc6 | PHE126 | -0.52 | -0.07 | -0.59 | 0.27 | -0.32 |
| 4oc6 | ILE134 | -0.97 | 0.77 | -0.2 | -0.43 | -0.63 |
| 4oc6 | THR232 | -0.10 | -0.09 | -0.19 | -0.12 | -0.31 |
| 4oc6 | GLY233 | -0.94 | -0.31 | -1.25 | 0.50 | -0.75 |
