Binding information for 4bfz_ligand_2_20.mol2(FDBF01634)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bfz_ligand_2_20.mol2 | 4bfz | 0.894737 | -6.66 | [NH+]1(CCN(CC1)c1ncccc1)C | 13 |
Structure and binding mode of 4bfz_ligand_2_20.mol2(FDBF01634)
Important binding residues for 4bfz_ligand_2_20.mol2(FDBF01634)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4bfz | LEU132 | -0.66 | -12.35 | -13.01 | 12.38 | -0.63 |
| 4bfz | LYS147 | -2.97 | 18.87 | 15.9 | -18.36 | -2.46 |
| 4bfz | GLY148 | -0.69 | 0.34 | -0.35 | -0.09 | -0.43 |
| 4bfz | LEU203 | -0.65 | 1.07 | 0.42 | -0.97 | -0.55 |
| 4bfz | ILE276 | -0.83 | 1.68 | 0.85 | -1.73 | -0.88 |
