Binding information for 2y8c_ligand_4_482.mol2(FDBF00607)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2y8c_ligand_4_482.mol2 | 2y8c | 0.833333 | -6.08 | CCOCc1ccccc1 | 10 |
Structure and binding mode of 2y8c_ligand_4_482.mol2(FDBF00607)
Important binding residues for 2y8c_ligand_4_482.mol2(FDBF00607)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2y8c | PHE46 | -1.17 | -0.23 | -1.4 | 0.34 | -1.07 |
| 2y8c | ILE117 | -1.19 | -0.38 | -1.57 | 0.66 | -0.91 |
| 2y8c | ALA119 | -0.58 | -0.07 | -0.65 | 0.11 | -0.53 |
| 2y8c | SER93 | -0.37 | 0.02 | -0.35 | -0.02 | -0.37 |
