Binding information for 4ieh_ligand_2_50.mol2(FDBF07350)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ieh_ligand_2_50.mol2 | 4ieh | 0.75 | -6.37 | CSc1ccccc1 | 8 |
Structure and binding mode of 4ieh_ligand_2_50.mol2(FDBF07350)
Important binding residues for 4ieh_ligand_2_50.mol2(FDBF07350)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ieh | ASP62 | -0.84 | 0.95 | 0.11 | -1.01 | -0.90 |
| 4ieh | PHE63 | -1.67 | -0.27 | -1.94 | 0.15 | -1.79 |
| 4ieh | VAL107 | -0.33 | 0.21 | -0.12 | -0.28 | -0.40 |
