Binding information for 1kz8_ligand_2_13.mol2(FDBF01200)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1kz8_ligand_2_13.mol2 | 1kz8 | 1 | -6.51 | c1cc(ccc1)Nc1ncnc2c1cccc2 | 17 |
Structure and binding mode of 1kz8_ligand_2_13.mol2(FDBF01200)
Important binding residues for 1kz8_ligand_2_13.mol2(FDBF01200)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1kz8 | HIS55 | -2.09 | 0.49 | -1.6 | 0.11 | -1.49 |
| 1kz8 | LEU56 | -1.83 | 0.10 | -1.73 | -0.15 | -1.88 |
| 1kz8 | VAL70 | -1.14 | -1.66 | -2.8 | 2.26 | -0.55 |
| 1kz8 | LEU76 | -0.40 | 0.09 | -0.31 | -0.15 | -0.46 |
