Binding information for 1xud_ligand_1_3.mol2(FDBF00024)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xud_ligand_1_3.mol2 | 1xud | 1 | -5.49 | C(=O)NC | 4 |
Structure and binding mode of 1xud_ligand_1_3.mol2(FDBF00024)
Important binding residues for 1xud_ligand_1_3.mol2(FDBF00024)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1xud | LEU218 | -0.52 | -0.33 | -0.85 | 0.22 | -0.64 |
| 1xud | PHE241 | -0.71 | -0.39 | -1.1 | 0.70 | -0.41 |
| 1xud | TYR244 | -0.78 | -1.28 | -2.06 | 0.51 | -1.55 |
| 1xud | THR245 | 0.40 | -4.08 | -3.68 | 1.99 | -1.70 |
