Binding information for 4od9_ligand_2_30.mol2(FDBF00182)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4od9_ligand_2_30.mol2 | 4od9 | 1 | -6.09 | C(=O)NCc1ccccc1 | 10 |
Structure and binding mode of 4od9_ligand_2_30.mol2(FDBF00182)
Important binding residues for 4od9_ligand_2_30.mol2(FDBF00182)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4od9 | TYR78 | -0.45 | -1.37 | -1.82 | 0.97 | -0.85 |
| 4od9 | GLY79 | -1.02 | -3.32 | -4.34 | 2.12 | -2.21 |
| 4od9 | THR234 | -0.61 | -2.26 | -2.87 | 1.31 | -1.56 |
| 4od9 | VAL238 | -0.48 | -0.74 | -1.22 | 0.91 | -0.31 |
| 4od9 | MET309 | -0.78 | -0.24 | -1.02 | 0.10 | -0.92 |
| 4od9 | ILE311 | -0.50 | 0.05 | -0.45 | -0.10 | -0.55 |
| 4od9 | ILE320 | -0.72 | 0.17 | -0.55 | -0.26 | -0.81 |
