Binding information for 2vj9_ligand_2_7.mol2(FDBF02825)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vj9_ligand_2_7.mol2 | 2vj9 | 1 | -6.39 | C(C)Nc1ccccc1 | 9 |
Structure and binding mode of 2vj9_ligand_2_7.mol2(FDBF02825)
Important binding residues for 2vj9_ligand_2_7.mol2(FDBF02825)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2vj9 | GLN73 | -0.77 | 0.01 | -0.76 | 0.32 | -0.44 |
| 2vj9 | GLY74 | -0.40 | -0.07 | -0.47 | 0.08 | -0.39 |
| 2vj9 | GLN134 | -2.24 | 0.79 | -1.45 | 0.64 | -0.81 |
| 2vj9 | ILE171 | -0.44 | -0.25 | -0.69 | 0.32 | -0.37 |
| 2vj9 | THR292 | -1.61 | -0.81 | -2.42 | 0.27 | -2.14 |
| 2vj9 | THR293 | -1.38 | -1.38 | -2.76 | 1.59 | -1.17 |
