Binding information for 1ezf_ligand_1_1.mol2(FDBF03050)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ezf_ligand_1_1.mol2 | 1ezf | 0.45614 | -7.11 | C[C@@H]1C(=O)Nc2c(cc(cc2)Cl)CO1 | 14 |
Structure and binding mode of 1ezf_ligand_1_1.mol2(FDBF03050)
Important binding residues for 1ezf_ligand_1_1.mol2(FDBF03050)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ezf | PHE54 | -1.44 | 0.06 | -1.38 | 0.23 | -1.15 |
| 1ezf | VAL69 | -0.39 | 0.05 | -0.34 | 0.01 | -0.32 |
| 1ezf | PHE72 | -0.72 | -0.29 | -1.01 | 0.28 | -0.72 |
| 1ezf | TYR73 | -2.08 | -0.51 | -2.59 | 0.83 | -1.76 |
| 1ezf | LEU76 | -0.82 | 0.15 | -0.67 | -0.12 | -0.79 |
| 1ezf | VAL179 | -0.98 | 0.07 | -0.91 | -0.16 | -1.06 |
| 1ezf | LEU183 | -0.53 | 0.03 | -0.5 | -0.11 | -0.61 |
| 1ezf | LEU211 | -0.86 | -0.03 | -0.89 | -0.10 | -0.99 |
| 1ezf | PHE288 | -0.59 | 0.17 | -0.42 | 0.10 | -0.32 |
| 1ezf | PRO292 | -1.04 | -0.11 | -1.15 | -0.05 | -1.21 |
