Binding information for 4bfz_ligand_1_6.mol2(FDBF01634)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bfz_ligand_1_6.mol2 | 4bfz | 0.894737 | -6.55 | [NH2+]1CCN(CC1)c1ncccc1 | 12 |
Structure and binding mode of 4bfz_ligand_1_6.mol2(FDBF01634)
Important binding residues for 4bfz_ligand_1_6.mol2(FDBF01634)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4bfz | LEU132 | -0.66 | -12.49 | -13.15 | 12.50 | -0.65 |
| 4bfz | LYS147 | -2.91 | 19.11 | 16.2 | -18.33 | -2.12 |
| 4bfz | GLY148 | -0.69 | 0.34 | -0.35 | -0.09 | -0.44 |
| 4bfz | LEU203 | -0.65 | 1.10 | 0.45 | -0.99 | -0.54 |
| 4bfz | ILE276 | -0.62 | 1.67 | 1.05 | -1.60 | -0.55 |
