Binding information for 5ea5_ligand_3_219.mol2(FDBF00176)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5ea5_ligand_3_219.mol2 | 5ea5 | 0.521739 | -5.89 | C(O)CCc1ccc(cc1)C | 11 |
Structure and binding mode of 5ea5_ligand_3_219.mol2(FDBF00176)
Important binding residues for 5ea5_ligand_3_219.mol2(FDBF00176)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5ea5 | PHE488 | -1.35 | 0.41 | -0.94 | 0.10 | -0.84 |
