Binding information for 2qzl_ligand_3_251.mol2(FDBF00194)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2qzl_ligand_3_251.mol2 | 2qzl | 1 | -7.17 | C([NH3+])CCc1ccccc1 | 10 |
Structure and binding mode of 2qzl_ligand_3_251.mol2(FDBF00194)
Important binding residues for 2qzl_ligand_3_251.mol2(FDBF00194)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2qzl | SER35 | -0.33 | 1.44 | 1.11 | -1.70 | -0.60 |
| 2qzl | PHE108 | -1.50 | -1.21 | -2.71 | 1.80 | -0.91 |
| 2qzl | TRP115 | -0.60 | -11.25 | -11.85 | 11.45 | -0.41 |
| 2qzl | ILE118 | -0.80 | 0.77 | -0.03 | -0.85 | -0.89 |
| 2qzl | ASP228 | 1.21 | -53.32 | -52.11 | 46.41 | -5.70 |
