Binding information for 4nw6_ligand_3_4.mol2(FDBF02612)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4nw6_ligand_3_4.mol2 | 4nw6 | 1 | -6.08 | Nc1cc(cc(c1)OC)OC | 11 |
Structure and binding mode of 4nw6_ligand_3_4.mol2(FDBF02612)
Important binding residues for 4nw6_ligand_3_4.mol2(FDBF02612)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4nw6 | LEU74 | -2.13 | 0.28 | -1.85 | 0.11 | -1.74 |
| 4nw6 | PHE149 | -0.99 | -0.38 | -1.37 | 0.55 | -0.81 |
| 4nw6 | LEU150 | -0.08 | -2.52 | -2.6 | 1.60 | -1.00 |
| 4nw6 | GLY152 | -0.39 | 0.05 | -0.34 | -0.13 | -0.47 |
| 4nw6 | GLY153 | -1.30 | -1.01 | -2.31 | 0.75 | -1.56 |
| 4nw6 | LEU200 | -0.86 | 0.22 | -0.64 | -0.16 | -0.80 |
