Binding information for 1gar_ligand_4_2520.mol2(FDBF06414)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gar_ligand_4_2520.mol2 | 1gar | 0.935484 | -6.70 | CC(=O)N(CC)c1ccccc1 | 12 |
Structure and binding mode of 1gar_ligand_4_2520.mol2(FDBF06414)
Important binding residues for 1gar_ligand_4_2520.mol2(FDBF06414)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1gar | MET89 | -1.92 | -0.25 | -2.17 | 0.76 | -1.41 |
| 1gar | LEU143 | -0.85 | 0.18 | -0.67 | -0.11 | -0.78 |
