Binding information for 2liq_ligand_2_24.mol2(FDBF07554)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2liq_ligand_2_24.mol2 | 2liq | 0.557692 | -5.34 | C(O)[C@@H]1CCC[C@H](OC)O1 | 10 |
Structure and binding mode of 2liq_ligand_2_24.mol2(FDBF07554)
Important binding residues for 2liq_ligand_2_24.mol2(FDBF07554)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2liq | TYR103 | -1.54 | -0.49 | -2.03 | 0.82 | -1.21 |
