Binding information for 2gde_ligand_1_7.mol2(FDBF07470)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2gde_ligand_1_7.mol2 | 2gde | 0.857143 | -5.62 | C(Cl)C(C)C | 5 |
Structure and binding mode of 2gde_ligand_1_7.mol2(FDBF07470)
Important binding residues for 2gde_ligand_1_7.mol2(FDBF07470)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2gde | ILE174 | -0.57 | 0.28 | -0.29 | -0.22 | -0.51 |
| 2gde | TRP215 | -1.31 | 0.34 | -0.97 | 0.21 | -0.75 |
