Binding information for 1lee_ligand_4_594.mol2(FDBF02382)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1lee_ligand_4_594.mol2 | 1lee | 1 | -7.13 | C([C@H](C)O)Cc1ccccc1 | 11 |
Structure and binding mode of 1lee_ligand_4_594.mol2(FDBF02382)
Important binding residues for 1lee_ligand_4_594.mol2(FDBF02382)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1lee | ILE32 | -0.75 | -1.07 | -1.82 | 1.00 | -0.82 |
| 1lee | GLY36 | -1.01 | -0.24 | -1.25 | -0.25 | -1.50 |
| 1lee | SER37 | -0.56 | 0.03 | -0.53 | -0.15 | -0.68 |
| 1lee | VAL78 | -0.39 | -0.04 | -0.43 | 0.06 | -0.38 |
| 1lee | ILE123 | -0.81 | -0.11 | -0.92 | -0.04 | -0.96 |
| 1lee | GLY216 | -0.97 | -0.04 | -1.01 | -0.62 | -1.63 |
