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The non-bonding type of interactions of compound 4 and compound 5 in the binding pocket of DENV2 NS2B-NS3 protease.
| Ligand | vdW | UAA | Pi-cation | Pi-alkyl |
|---|---|---|---|---|
| 4 | VAL52, GLN27, SER131, THR134, TYR150, PHE130, TYR161, SER135 | na | HIS51 | ILE36, PRO132 |
| 5 | GLN27, VAL52, SER135, SER131, THR134, PHE130, TYR150, TYR161, GLY151 | PRO132 | ARG54, HIS51 | PRO132 |
Na = not applied
