Binding information for 2viw_ligand_1_3.mol2(FDBF04331)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2viw_ligand_1_3.mol2 | 2viw | 1 | -6.40 | NC(=O)c1cc(cc(c1)C)C | 11 |
Structure and binding mode of 2viw_ligand_1_3.mol2(FDBF04331)
Important binding residues for 2viw_ligand_1_3.mol2(FDBF04331)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2viw | CYS191 | -1.06 | -0.28 | -1.34 | 0.17 | -1.17 |
| 2viw | GLN192 | -2.43 | -1.73 | -4.16 | 1.56 | -2.59 |
| 2viw | VAL213 | -0.43 | 0.03 | -0.4 | -0.07 | -0.46 |
| 2viw | TRP215 | -0.70 | -0.21 | -0.91 | 0.27 | -0.64 |
| 2viw | ARG217 | -0.20 | -0.46 | -0.66 | -0.03 | -0.68 |
