Binding information for 2y8c_ligand_4_481.mol2(FDBF00607)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2y8c_ligand_4_481.mol2 | 2y8c | 0.833333 | -5.69 | CCOCc1ccccc1 | 10 |
Structure and binding mode of 2y8c_ligand_4_481.mol2(FDBF00607)
Important binding residues for 2y8c_ligand_4_481.mol2(FDBF00607)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2y8c | PHE46 | -0.71 | -0.04 | -0.75 | 0.11 | -0.64 |
| 2y8c | ILE117 | -0.35 | -0.04 | -0.39 | -0.01 | -0.40 |
| 2y8c | SER93 | -1.12 | -0.47 | -1.59 | 0.48 | -1.11 |
