Binding information for 1g32_ligand_1_4.mol2(FDBF03537)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1g32_ligand_1_4.mol2 | 1g32 | 0.685714 | -6.38 | [n+]1(c([nH]c2c1cccc2)C)C | 11 |
Structure and binding mode of 1g32_ligand_1_4.mol2(FDBF03537)
Important binding residues for 1g32_ligand_1_4.mol2(FDBF03537)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1g32 | LEU99 | -0.77 | -0.05 | -0.82 | 0.15 | -0.66 |
| 1g32 | ILE174 | -1.11 | -0.31 | -1.42 | 0.01 | -1.41 |
| 1g32 | TRP215 | -1.67 | 0.35 | -1.32 | 0.45 | -0.87 |
