Binding information for 2f6z_ligand_2_9.mol2(FDBF03198)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2f6z_ligand_2_9.mol2 | 2f6z | 0.666667 | -7.22 | C1N(Cc2ccccc2C1)C(=O)CC | 14 |
Structure and binding mode of 2f6z_ligand_2_9.mol2(FDBF03198)
Important binding residues for 2f6z_ligand_2_9.mol2(FDBF03198)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2f6z | TYR46 | -1.91 | -0.09 | -2 | 1.12 | -0.88 |
| 2f6z | VAL49 | -1.17 | 0.15 | -1.02 | -0.16 | -1.18 |
| 2f6z | PHE182 | -1.48 | 0.06 | -1.42 | 0.46 | -0.96 |
| 2f6z | ALA217 | -1.22 | -0.22 | -1.44 | 0.14 | -1.30 |
| 2f6z | ILE219 | -0.90 | 0.16 | -0.74 | -0.07 | -0.81 |
