Binding information for 2ovz_ligand_2_0.mol2(FDBF03385)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ovz_ligand_2_0.mol2 | 2ovz | 0.870968 | -5.93 | C([C@H]1c2ccccc2NC1)C | 11 |
Structure and binding mode of 2ovz_ligand_2_0.mol2(FDBF03385)
Important binding residues for 2ovz_ligand_2_0.mol2(FDBF03385)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ovz | LEU187 | -1.57 | -0.56 | -2.13 | 0.03 | -2.09 |
| 2ovz | LEU188 | -0.62 | -0.13 | -0.75 | 0.37 | -0.39 |
| 2ovz | MET422 | -0.48 | -0.03 | -0.51 | 0.09 | -0.41 |
