Binding information for 2liq_ligand_1_7.mol2(FDBF00454)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2liq_ligand_1_7.mol2 | 2liq | 0.733333 | -5.36 | C(O)[C@@H]1CCCCO1 | 8 |
Structure and binding mode of 2liq_ligand_1_7.mol2(FDBF00454)
Important binding residues for 2liq_ligand_1_7.mol2(FDBF00454)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2liq | TYR103 | -1.48 | -0.65 | -2.13 | 0.98 | -1.15 |
