Binding information for 2f6z_ligand_1_2.mol2(FDBF02355)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2f6z_ligand_1_2.mol2 | 2f6z | 0.804598 | -7.17 | C1N(Cc2ccccc2C1)C(=O)C | 13 |
Structure and binding mode of 2f6z_ligand_1_2.mol2(FDBF02355)
Important binding residues for 2f6z_ligand_1_2.mol2(FDBF02355)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2f6z | TYR46 | -1.89 | -0.08 | -1.97 | 1.11 | -0.87 |
| 2f6z | VAL49 | -1.00 | 0.16 | -0.84 | -0.18 | -1.02 |
| 2f6z | PHE182 | -1.48 | 0.07 | -1.41 | 0.45 | -0.95 |
| 2f6z | ALA217 | -1.21 | -0.22 | -1.43 | 0.13 | -1.29 |
| 2f6z | ILE219 | -0.85 | 0.17 | -0.68 | -0.09 | -0.76 |
