Binding information for 2ohu_ligand_2_20.mol2(FDBF00799)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ohu_ligand_2_20.mol2 | 2ohu | 0.698113 | -5.93 | OCc1ccccn1 | 8 |
Structure and binding mode of 2ohu_ligand_2_20.mol2(FDBF00799)
Important binding residues for 2ohu_ligand_2_20.mol2(FDBF00799)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ohu | SER35 | -0.69 | -0.07 | -0.76 | 0.26 | -0.49 |
| 2ohu | VAL69 | -0.93 | 0.00 | -0.93 | -0.06 | -0.99 |
| 2ohu | TYR71 | -0.82 | 0.17 | -0.65 | 0.22 | -0.43 |
| 2ohu | TRP76 | -1.14 | -2.14 | -3.28 | 1.42 | -1.86 |
| 2ohu | PHE108 | -0.45 | -0.05 | -0.5 | 0.14 | -0.37 |
| 2ohu | ILE118 | -0.51 | -0.20 | -0.71 | 0.30 | -0.41 |
