Binding information for 3eid_ligand_3_49.mol2(FDBF00215)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3eid_ligand_3_49.mol2 | 3eid | 1 | -6.07 | C(O)COc1ccccc1 | 10 |
Structure and binding mode of 3eid_ligand_3_49.mol2(FDBF00215)
Important binding residues for 3eid_ligand_3_49.mol2(FDBF00215)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3eid | ILE10 | -1.29 | -0.20 | -1.49 | 0.82 | -0.67 |
| 3eid | GLN85 | -0.84 | -0.55 | -1.39 | 0.19 | -1.19 |
| 3eid | LEU134 | -0.44 | -0.12 | -0.56 | -0.02 | -0.57 |
