Binding information for 4nw5_ligand_3_32.mol2(FDBF02612)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4nw5_ligand_3_32.mol2 | 4nw5 | 1 | -6.05 | Nc1cc(cc(OC)c1)OC | 11 |
Structure and binding mode of 4nw5_ligand_3_32.mol2(FDBF02612)
Important binding residues for 4nw5_ligand_3_32.mol2(FDBF02612)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4nw5 | LEU74 | -1.96 | 0.29 | -1.67 | 0.05 | -1.63 |
| 4nw5 | PHE149 | -0.92 | -0.52 | -1.44 | 0.64 | -0.79 |
| 4nw5 | LEU150 | 0.41 | -3.05 | -2.64 | 1.76 | -0.88 |
| 4nw5 | GLY152 | -0.39 | 0.11 | -0.28 | -0.21 | -0.49 |
| 4nw5 | GLY153 | -1.28 | -0.98 | -2.26 | 0.80 | -1.46 |
| 4nw5 | LEU200 | -0.84 | 0.25 | -0.59 | -0.22 | -0.80 |
