Binding information for 2viz_ligand_3_167.mol2(FDBF00143)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2viz_ligand_3_167.mol2 | 2viz | 1 | -7.25 | C(=O)NCCc1ccccc1 | 11 |
Structure and binding mode of 2viz_ligand_3_167.mol2(FDBF00143)
Important binding residues for 2viz_ligand_3_167.mol2(FDBF00143)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2viz | LEU91 | -0.51 | 0.89 | 0.38 | -0.81 | -0.43 |
| 2viz | TYR132 | -1.82 | -1.27 | -3.09 | 1.27 | -1.82 |
| 2viz | THR133 | -0.77 | -3.25 | -4.02 | 2.32 | -1.70 |
| 2viz | GLN134 | -1.23 | -1.81 | -3.04 | 1.78 | -1.26 |
| 2viz | PHE169 | -1.48 | -0.57 | -2.05 | 1.24 | -0.81 |
| 2viz | ILE179 | -0.79 | 0.07 | -0.72 | -0.17 | -0.88 |
| 2viz | GLY291 | -0.73 | -2.12 | -2.85 | 1.87 | -0.99 |
| 2viz | THR292 | -0.85 | 0.04 | -0.81 | 0.39 | -0.42 |
