Binding information for 1gar_ligand_3_524.mol2(FDBF06414)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gar_ligand_3_524.mol2 | 1gar | 1 | -6.45 | C(N(C=O)c1ccccc1)C | 11 |
Structure and binding mode of 1gar_ligand_3_524.mol2(FDBF06414)
Important binding residues for 1gar_ligand_3_524.mol2(FDBF06414)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1gar | MET89 | -1.57 | -0.20 | -1.77 | 0.63 | -1.13 |
| 1gar | LEU143 | -0.83 | 0.19 | -0.64 | -0.14 | -0.78 |
