Binding information for 1uy6_ligand_2_7.mol2(FDBF00297)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1uy6_ligand_2_7.mol2 | 1uy6 | 1 | -6.40 | O(C)c1ccccc1OC | 10 |
Structure and binding mode of 1uy6_ligand_2_7.mol2(FDBF00297)
Important binding residues for 1uy6_ligand_2_7.mol2(FDBF00297)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1uy6 | MET98 | -0.91 | 0.31 | -0.6 | 0.06 | -0.54 |
| 1uy6 | LEU103 | -0.78 | 0.26 | -0.52 | -0.16 | -0.69 |
| 1uy6 | LEU107 | -1.67 | -0.79 | -2.46 | 0.38 | -2.08 |
| 1uy6 | PHE138 | -2.71 | 0.35 | -2.36 | 0.27 | -2.08 |
| 1uy6 | TRP162 | -1.57 | -0.31 | -1.88 | 0.83 | -1.05 |
