Binding information for 1xh6_ligand_1_6.mol2(FDBF01186)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xh6_ligand_1_6.mol2 | 1xh6 | 0.755556 | -6.69 | c1(ccncc1)C(=O)N | 9 |
Structure and binding mode of 1xh6_ligand_1_6.mol2(FDBF01186)
Important binding residues for 1xh6_ligand_1_6.mol2(FDBF01186)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1xh6 | LEU49 | -0.83 | -0.60 | -1.43 | 0.87 | -0.56 |
| 1xh6 | VAL57 | -1.10 | -0.37 | -1.47 | 0.19 | -1.28 |
| 1xh6 | ALA70 | -0.66 | -0.02 | -0.68 | -0.04 | -0.72 |
| 1xh6 | MET120 | -0.66 | -0.69 | -1.35 | 0.85 | -0.51 |
| 1xh6 | TYR122 | -1.02 | -1.27 | -2.29 | 0.32 | -1.97 |
| 1xh6 | VAL123 | -0.94 | -2.23 | -3.17 | 0.91 | -2.25 |
| 1xh6 | LEU173 | -1.54 | 0.17 | -1.37 | -0.19 | -1.56 |
| 1xh6 | THR183 | -1.17 | -1.41 | -2.58 | 1.42 | -1.16 |
