Binding information for 1lpg_ligand_2_22.mol2(FDBF00647)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1lpg_ligand_2_22.mol2 | 1lpg | 1 | -6.63 | Cc1ccc(cc1)[N](C)(C)C | 11 |
Structure and binding mode of 1lpg_ligand_2_22.mol2(FDBF00647)
Important binding residues for 1lpg_ligand_2_22.mol2(FDBF00647)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1lpg | TYR99 | -2.89 | 0.16 | -2.73 | 1.62 | -1.10 |
| 1lpg | PHE174 | -1.40 | 0.19 | -1.21 | 0.04 | -1.18 |
