Binding information for 2qhz_ligand_1_1.mol2(FDBF03022)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2qhz_ligand_1_1.mol2 | 2qhz | 0.230769 | -5.94 | C(=C\C(=O)NC)\C | 7 |
Structure and binding mode of 2qhz_ligand_1_1.mol2(FDBF03022)
Important binding residues for 2qhz_ligand_1_1.mol2(FDBF03022)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2qhz | ILE47 | -0.53 | 0.19 | -0.34 | -0.13 | -0.46 |
| 2qhz | GLY49 | -0.61 | -1.46 | -2.07 | 1.16 | -0.91 |
| 2qhz | ILE84 | -0.45 | 0.07 | -0.38 | -0.09 | -0.46 |
| 2qhz | ILE50 | -0.97 | -0.25 | -1.22 | 0.05 | -1.16 |
