Binding information for 1qpl_ligand_2_22.mol2(FDBF00748)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1qpl_ligand_2_22.mol2 | 1qpl | 0.756098 | -5.75 | [C@@H]1(C[C@H](CCC1)OC)/C=C/C | 11 |
Structure and binding mode of 1qpl_ligand_2_22.mol2(FDBF00748)
Important binding residues for 1qpl_ligand_2_22.mol2(FDBF00748)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1qpl | ILE56 | -0.91 | 0.03 | -0.88 | -0.01 | -0.90 |
| 1qpl | TYR82 | -1.73 | 0.11 | -1.62 | 0.91 | -0.71 |
