Binding information for 4od9_ligand_4_86.mol2(FDBF03586)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4od9_ligand_4_86.mol2 | 4od9 | 0.833333 | -6.26 | C(NC(=O)C)c1ccc(OC)cc1 | 13 |
Structure and binding mode of 4od9_ligand_4_86.mol2(FDBF03586)
Important binding residues for 4od9_ligand_4_86.mol2(FDBF03586)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4od9 | TYR78 | -0.61 | -1.31 | -1.92 | 0.99 | -0.93 |
| 4od9 | GLY79 | -1.17 | -3.24 | -4.41 | 2.08 | -2.33 |
| 4od9 | THR234 | -0.79 | -2.21 | -3 | 1.25 | -1.75 |
| 4od9 | VAL238 | -0.51 | -0.89 | -1.4 | 1.09 | -0.31 |
| 4od9 | MET309 | -1.45 | -0.23 | -1.68 | 0.17 | -1.51 |
| 4od9 | ILE311 | -0.83 | 0.23 | -0.6 | -0.20 | -0.80 |
| 4od9 | ILE320 | -0.82 | 0.19 | -0.63 | -0.31 | -0.93 |
