Binding information for 2viy_ligand_4_506.mol2(FDBF00695)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2viy_ligand_4_506.mol2 | 2viy | 0.848485 | -7.52 | C[C@@H](O)CCc1ccccc1 | 11 |
Structure and binding mode of 2viy_ligand_4_506.mol2(FDBF00695)
Important binding residues for 2viy_ligand_4_506.mol2(FDBF00695)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2viy | LEU91 | -0.81 | 0.44 | -0.37 | -0.40 | -0.77 |
| 2viy | GLY95 | -0.66 | 1.15 | 0.49 | -1.34 | -0.84 |
| 2viy | SER96 | -0.49 | 0.37 | -0.12 | -0.36 | -0.48 |
| 2viy | TYR132 | -1.80 | -0.55 | -2.35 | 1.38 | -0.96 |
| 2viy | PHE169 | -1.35 | -0.33 | -1.68 | 1.01 | -0.66 |
| 2viy | ILE179 | -0.77 | 0.09 | -0.68 | -0.23 | -0.92 |
| 2viy | GLY291 | -1.30 | 0.87 | -0.43 | -0.31 | -0.74 |
| 2viy | THR292 | -0.59 | -0.12 | -0.71 | 0.39 | -0.32 |
