Binding information for 4l02_ligand_2_11.mol2(FDBF00641)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4l02_ligand_2_11.mol2 | 4l02 | 1 | -7.10 | Cc1ccc(N)cc1 | 8 |
Structure and binding mode of 4l02_ligand_2_11.mol2(FDBF00641)
Important binding residues for 4l02_ligand_2_11.mol2(FDBF00641)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4l02 | PHE173 | -0.62 | -0.11 | -0.73 | 0.12 | -0.62 |
| 4l02 | ILE174 | -1.92 | -0.48 | -2.4 | 0.30 | -2.09 |
| 4l02 | VAL177 | -0.68 | -0.05 | -0.73 | -0.32 | -1.05 |
| 4l02 | PHE192 | -1.58 | -0.25 | -1.83 | 0.60 | -1.23 |
| 4l02 | THR196 | -0.61 | -1.91 | -2.52 | 0.58 | -1.95 |
| 4l02 | LEU268 | -0.63 | -0.01 | -0.64 | 0.15 | -0.49 |
| 4l02 | MET272 | -0.78 | 0.28 | -0.5 | 0.14 | -0.36 |
| 4l02 | PHE303 | -1.03 | -0.07 | -1.1 | 0.42 | -0.68 |
