Binding information for 1q6t_ligand_2_82.mol2(FDBF00799)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1q6t_ligand_2_82.mol2 | 1q6t | 0.733333 | -6.04 | C(c1ccc2ccccc2n1)OC | 13 |
Structure and binding mode of 1q6t_ligand_2_82.mol2(FDBF00799)
Important binding residues for 1q6t_ligand_2_82.mol2(FDBF00799)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1q6t | VAL549 | -0.36 | -0.10 | -0.46 | -0.01 | -0.47 |
| 1q6t | MET758 | -2.12 | 0.10 | -2.02 | 0.56 | -1.46 |
