Binding information for 4dho_ligand_3_16.mol2(FDBF06298)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4dho_ligand_3_16.mol2 | 4dho | 1 | -5.49 | C(O)C(=O)Nc1ccccc1 | 11 |
Structure and binding mode of 4dho_ligand_3_16.mol2(FDBF06298)
Important binding residues for 4dho_ligand_3_16.mol2(FDBF06298)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4dho | ARG56 | -1.87 | -0.30 | -2.17 | 1.45 | -0.71 |
| 4dho | ALA57 | -0.54 | 0.06 | -0.48 | -0.13 | -0.61 |
