Binding information for 1qft_ligand_1_1.mol2(FDBF00051)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1qft_ligand_1_1.mol2 | 1qft | 1 | -6.25 | Cc1c[nH+]c[nH]1 | 6 |
Structure and binding mode of 1qft_ligand_1_1.mol2(FDBF00051)
Important binding residues for 1qft_ligand_1_1.mol2(FDBF00051)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1qft | VAL41 | -0.60 | -0.59 | -1.19 | -0.31 | -1.51 |
| 1qft | TRP42 | -1.96 | 0.98 | -0.98 | 0.37 | -0.61 |
| 1qft | TYR100 | -0.76 | -0.04 | -0.8 | 0.32 | -0.48 |
| 1qft | PHE108 | -2.05 | 0.54 | -1.51 | 0.40 | -1.10 |
