Binding information for 3ieo_ligand_3_10.mol2(FDBF01215)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ieo_ligand_3_10.mol2 | 3ieo | 1 | -5.11 | N(C(=O)C)CCOC | 8 |
Structure and binding mode of 3ieo_ligand_3_10.mol2(FDBF01215)
Important binding residues for 3ieo_ligand_3_10.mol2(FDBF01215)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ieo | LEU198 | -0.82 | -1.68 | -2.5 | 1.94 | -0.56 |
