Binding information for 2f6z_ligand_frag_1.mol2(FDBF03356)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2f6z_ligand_frag_1.mol2 | 2f6z | 1 | -6.93 | C1N(Cc2ccccc2C1)C=O | 12 |
Structure and binding mode of 2f6z_ligand_frag_1.mol2(FDBF03356)
Important binding residues for 2f6z_ligand_frag_1.mol2(FDBF03356)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2f6z | TYR46 | -1.87 | -0.05 | -1.92 | 1.07 | -0.85 |
| 2f6z | VAL49 | -1.05 | 0.12 | -0.93 | -0.17 | -1.10 |
| 2f6z | PHE182 | -1.45 | 0.06 | -1.39 | 0.45 | -0.94 |
| 2f6z | ALA217 | -1.19 | -0.21 | -1.4 | 0.11 | -1.29 |
| 2f6z | ILE219 | -0.67 | 0.17 | -0.5 | -0.10 | -0.60 |
