Binding information for 2oym_ligand_2_0.mol2(FDBF00050)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2oym_ligand_2_0.mol2 | 2oym | 1 | -6.82 | N(C)(C)c1ccc(cc1)C(=O)N | 12 |
Structure and binding mode of 2oym_ligand_2_0.mol2(FDBF00050)
Important binding residues for 2oym_ligand_2_0.mol2(FDBF00050)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2oym | TRP178 | -0.96 | -1.41 | -2.37 | 2.01 | -0.36 |
| 2oym | GLU179 | -1.17 | 2.60 | 1.43 | -1.90 | -0.47 |
| 2oym | TYR182 | -2.51 | -0.17 | -2.68 | 1.27 | -1.41 |
| 2oym | ALA275 | -0.47 | 0.46 | -0.01 | -0.59 | -0.60 |
| 2oym | ILE276 | -1.54 | -0.21 | -1.75 | -0.12 | -1.87 |
