Binding information for 3ieo_ligand_4_6.mol2(FDBF03398)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ieo_ligand_4_6.mol2 | 3ieo | 0.76 | -4.88 | C(=O)(NC)CCOC | 8 |
Structure and binding mode of 3ieo_ligand_4_6.mol2(FDBF03398)
Important binding residues for 3ieo_ligand_4_6.mol2(FDBF03398)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ieo | ILE91 | -0.87 | -1.20 | -2.07 | 1.40 | -0.68 |
