Binding information for 2viv_ligand_1_2.mol2(FDBF04331)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2viv_ligand_1_2.mol2 | 2viv | 1 | -6.49 | c1(cc(cc(c1)C)C)C(=O)N | 11 |
Structure and binding mode of 2viv_ligand_1_2.mol2(FDBF04331)
Important binding residues for 2viv_ligand_1_2.mol2(FDBF04331)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2viv | CYS191 | -1.33 | -0.36 | -1.69 | 0.32 | -1.38 |
| 2viv | GLN192 | -2.34 | -3.96 | -6.3 | 2.98 | -3.32 |
| 2viv | ASP194 | -0.30 | -0.18 | -0.48 | 0.16 | -0.32 |
| 2viv | VAL213 | -0.40 | 0.09 | -0.31 | -0.13 | -0.44 |
| 2viv | TRP215 | -0.82 | -0.32 | -1.14 | 0.38 | -0.76 |
| 2viv | ARG217 | -0.23 | -0.54 | -0.77 | -0.02 | -0.78 |
