Binding information for 2viz_ligand_3_202.mol2(FDBF00176)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2viz_ligand_3_202.mol2 | 2viz | 0.511111 | -7.18 | C(CCO)c1ccccc1 | 10 |
Structure and binding mode of 2viz_ligand_3_202.mol2(FDBF00176)
Important binding residues for 2viz_ligand_3_202.mol2(FDBF00176)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2viz | LEU91 | -0.50 | 0.48 | -0.02 | -0.44 | -0.46 |
| 2viz | GLY95 | -0.50 | 1.07 | 0.57 | -1.35 | -0.78 |
| 2viz | SER96 | -0.46 | 0.36 | -0.1 | -0.38 | -0.48 |
| 2viz | TYR132 | -1.69 | -0.33 | -2.02 | 1.25 | -0.78 |
| 2viz | PHE169 | -1.46 | -0.48 | -1.94 | 1.15 | -0.79 |
| 2viz | ILE179 | -0.84 | 0.07 | -0.77 | -0.22 | -0.98 |
| 2viz | GLY291 | -1.17 | 0.78 | -0.39 | -0.26 | -0.65 |
| 2viz | THR292 | -0.53 | -0.09 | -0.62 | 0.27 | -0.35 |
