Binding information for 4l02_ligand_1_2.mol2(FDBF00046)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4l02_ligand_1_2.mol2 | 4l02 | 1 | -6.77 | Nc1ccccc1 | 7 |
Structure and binding mode of 4l02_ligand_1_2.mol2(FDBF00046)
Important binding residues for 4l02_ligand_1_2.mol2(FDBF00046)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4l02 | PHE173 | -0.61 | -0.11 | -0.72 | 0.12 | -0.60 |
| 4l02 | ILE174 | -1.72 | -0.49 | -2.21 | 0.27 | -1.93 |
| 4l02 | VAL177 | -0.62 | -0.04 | -0.66 | -0.26 | -0.93 |
| 4l02 | PHE192 | -1.07 | -0.22 | -1.29 | 0.48 | -0.81 |
| 4l02 | THR196 | -0.60 | -1.95 | -2.55 | 0.55 | -1.99 |
| 4l02 | LEU268 | -0.45 | 0.02 | -0.43 | 0.06 | -0.37 |
| 4l02 | MET272 | -0.65 | 0.26 | -0.39 | 0.09 | -0.31 |
| 4l02 | PHE303 | -1.00 | -0.07 | -1.07 | 0.41 | -0.67 |
