Binding information for 4nw6_ligand_3_10.mol2(FDBF02609)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4nw6_ligand_3_10.mol2 | 4nw6 | 1 | -6.06 | Nc1ccc(c(c1)OC)OC | 11 |
Structure and binding mode of 4nw6_ligand_3_10.mol2(FDBF02609)
Important binding residues for 4nw6_ligand_3_10.mol2(FDBF02609)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4nw6 | LEU74 | -2.42 | 0.12 | -2.3 | 0.46 | -1.84 |
| 4nw6 | PHE149 | -0.80 | -0.35 | -1.15 | 0.49 | -0.66 |
| 4nw6 | LEU150 | 0.07 | -2.63 | -2.56 | 1.61 | -0.94 |
| 4nw6 | ARG151 | -0.40 | 0.29 | -0.11 | -0.23 | -0.34 |
| 4nw6 | GLY152 | -0.25 | 0.15 | -0.1 | -0.22 | -0.33 |
| 4nw6 | GLY153 | -1.14 | -1.21 | -2.35 | 0.85 | -1.51 |
| 4nw6 | LEU200 | -0.86 | 0.20 | -0.66 | -0.15 | -0.81 |
