Binding information for 2qhz_ligand_2_9.mol2(FDBF06984)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2qhz_ligand_2_9.mol2 | 2qhz | 0.542857 | -6.21 | C(=C\C(=O)NCC)\C | 8 |
Structure and binding mode of 2qhz_ligand_2_9.mol2(FDBF06984)
Important binding residues for 2qhz_ligand_2_9.mol2(FDBF06984)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2qhz | ILE47 | -0.53 | 0.19 | -0.34 | -0.12 | -0.47 |
| 2qhz | GLY49 | -0.63 | -1.45 | -2.08 | 1.14 | -0.94 |
| 2qhz | ILE84 | -0.46 | 0.08 | -0.38 | -0.10 | -0.48 |
| 2qhz | ILE50 | -0.98 | -0.24 | -1.22 | 0.04 | -1.18 |
| 2qhz | ILE84 | -0.36 | 0.06 | -0.3 | -0.14 | -0.44 |
