Binding information for 1h07_ligand_3_100.mol2(FDBF00215)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1h07_ligand_3_100.mol2 | 1h07 | 1 | -6.07 | c1ccccc1OCCO | 10 |
Structure and binding mode of 1h07_ligand_3_100.mol2(FDBF00215)
Important binding residues for 1h07_ligand_3_100.mol2(FDBF00215)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1h07 | ILE10 | -2.03 | -0.79 | -2.82 | 0.99 | -1.84 |
| 1h07 | PHE82 | -0.60 | 0.00 | -0.6 | 0.07 | -0.53 |
| 1h07 | HIS84 | -0.75 | 0.15 | -0.6 | 0.10 | -0.50 |
| 1h07 | GLN85 | -0.85 | -0.54 | -1.39 | 0.35 | -1.05 |
| 1h07 | LEU134 | -0.61 | -0.06 | -0.67 | -0.09 | -0.76 |
