Binding information for 1qpf_ligand_1_5.mol2(FDBF00747)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1qpf_ligand_1_5.mol2 | 1qpf | 0.653846 | -5.48 | O(C)C1CCCCC1 | 8 |
Structure and binding mode of 1qpf_ligand_1_5.mol2(FDBF00747)
Important binding residues for 1qpf_ligand_1_5.mol2(FDBF00747)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1qpf | ILE256 | -0.54 | 0.05 | -0.49 | -0.07 | -0.55 |
