Binding information for 1q6t_ligand_3_357.mol2(FDBF00799)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1q6t_ligand_3_357.mol2 | 1q6t | 0.883333 | -6.23 | O(C)[C@@H](C)c1ccc2ccccc2n1 | 14 |
Structure and binding mode of 1q6t_ligand_3_357.mol2(FDBF00799)
Important binding residues for 1q6t_ligand_3_357.mol2(FDBF00799)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1q6t | VAL549 | -0.37 | -0.10 | -0.47 | 0.00 | -0.47 |
| 1q6t | MET758 | -2.15 | 0.10 | -2.05 | 0.59 | -1.46 |
