Binding information for 1uy6_ligand_2_0.mol2(FDBF00297)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1uy6_ligand_2_0.mol2 | 1uy6 | 1 | -6.38 | O(C)c1c(cccc1)OC | 10 |
Structure and binding mode of 1uy6_ligand_2_0.mol2(FDBF00297)
Important binding residues for 1uy6_ligand_2_0.mol2(FDBF00297)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1uy6 | MET98 | -0.57 | 0.15 | -0.42 | 0.08 | -0.34 |
| 1uy6 | LEU107 | -2.02 | -1.09 | -3.11 | 0.58 | -2.54 |
| 1uy6 | PHE138 | -2.50 | 0.42 | -2.08 | 0.16 | -1.92 |
| 1uy6 | TRP162 | -0.88 | -0.27 | -1.15 | 0.60 | -0.55 |
