Binding information for 4od9_ligand_3_141.mol2(FDBF00946)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4od9_ligand_3_141.mol2 | 4od9 | 0.860465 | -5.99 | C(=O)NCc1ccc(OC)cc1 | 12 |
Structure and binding mode of 4od9_ligand_3_141.mol2(FDBF00946)
Important binding residues for 4od9_ligand_3_141.mol2(FDBF00946)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4od9 | TYR78 | -0.48 | -1.31 | -1.79 | 0.94 | -0.84 |
| 4od9 | GLY79 | -1.12 | -3.12 | -4.24 | 1.95 | -2.29 |
| 4od9 | THR234 | -0.60 | -2.34 | -2.94 | 1.33 | -1.60 |
| 4od9 | VAL238 | -0.50 | -0.97 | -1.47 | 1.16 | -0.32 |
| 4od9 | MET309 | -1.45 | -0.21 | -1.66 | 0.15 | -1.51 |
| 4od9 | ILE311 | -0.82 | 0.24 | -0.58 | -0.21 | -0.79 |
| 4od9 | ILE320 | -0.73 | 0.18 | -0.55 | -0.28 | -0.82 |
