Binding information for 4nw6_ligand_4_0.mol2(FDBF02614)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4nw6_ligand_4_0.mol2 | 4nw6 | 1 | -5.99 | Nc1cc(c(c(c1)OC)OC)OC | 13 |
Structure and binding mode of 4nw6_ligand_4_0.mol2(FDBF02614)
Important binding residues for 4nw6_ligand_4_0.mol2(FDBF02614)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4nw6 | LEU74 | -2.55 | 0.14 | -2.41 | 0.47 | -1.94 |
| 4nw6 | PHE149 | -1.01 | -0.30 | -1.31 | 0.50 | -0.81 |
| 4nw6 | LEU150 | -0.07 | -2.62 | -2.69 | 1.64 | -1.06 |
| 4nw6 | GLY152 | -0.41 | 0.16 | -0.25 | -0.22 | -0.47 |
| 4nw6 | GLY153 | -1.40 | -1.24 | -2.64 | 1.02 | -1.62 |
| 4nw6 | LEU200 | -0.87 | 0.22 | -0.65 | -0.15 | -0.80 |
