Binding information for 1qpl_ligand_2_23.mol2(FDBF07641)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1qpl_ligand_2_23.mol2 | 1qpl | 0.653846 | -5.80 | [C@@H]1(CC[C@@H](CC1)O)/C=C/C | 10 |
Structure and binding mode of 1qpl_ligand_2_23.mol2(FDBF07641)
Important binding residues for 1qpl_ligand_2_23.mol2(FDBF07641)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1qpl | ILE56 | -0.67 | -0.03 | -0.7 | 0.02 | -0.69 |
| 1qpl | TYR82 | -1.26 | 0.18 | -1.08 | 0.76 | -0.32 |
