Binding information for 1h08_ligand_3_7.mol2(FDBF02607)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1h08_ligand_3_7.mol2 | 1h08 | 1 | -6.21 | Nc1ccc(OC)cc1 | 9 |
Structure and binding mode of 1h08_ligand_3_7.mol2(FDBF02607)
Important binding residues for 1h08_ligand_3_7.mol2(FDBF02607)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1h08 | ILE10 | -1.67 | -0.89 | -2.56 | 1.36 | -1.20 |
| 1h08 | PHE82 | -0.77 | -0.25 | -1.02 | 0.42 | -0.60 |
| 1h08 | LEU83 | -0.65 | -1.71 | -2.36 | 1.56 | -0.81 |
| 1h08 | HIS84 | -0.51 | -0.20 | -0.71 | 0.40 | -0.31 |
| 1h08 | GLN85 | -0.96 | -1.00 | -1.96 | 0.49 | -1.46 |
| 1h08 | LYS89 | -0.41 | -2.02 | -2.43 | 2.04 | -0.38 |
| 1h08 | LEU134 | -0.67 | 0.07 | -0.6 | -0.11 | -0.71 |
