Binding information for 3eoc_ligand_2_11.mol2(FDBF02607)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3eoc_ligand_2_11.mol2 | 3eoc | 1 | -6.22 | O(C)c1ccc(cc1)N | 9 |
Structure and binding mode of 3eoc_ligand_2_11.mol2(FDBF02607)
Important binding residues for 3eoc_ligand_2_11.mol2(FDBF02607)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3eoc | ILE10 | -1.79 | 0.27 | -1.52 | -0.17 | -1.69 |
| 3eoc | PHE82 | -0.72 | -0.24 | -0.96 | 0.45 | -0.51 |
| 3eoc | LEU83 | 0.36 | -2.56 | -2.2 | 1.71 | -0.49 |
| 3eoc | GLN85 | -1.59 | -0.24 | -1.83 | 0.50 | -1.33 |
| 3eoc | LEU134 | -0.46 | 0.14 | -0.32 | -0.17 | -0.49 |
