Table 5.
Noncovalent interactions of compound 2 with the HSA binding site III.
| Name | Distance (Å) | Category | Type |
|---|---|---|---|
| Compound 2: H4-GLY189:O | 2.73 | Hydrogen bond | Conventional |
| LYS190-compound 2 | 4.88 | Electrostatic | π-Cation |
| Compound 2: O3-PHE157 | 3.39 | Electrostatic | π-Anion |
| TYR161-compound 2 | 4.29 | Hydrophobic | π-π Stacked |
| TYR161-compound 2 | 4.72 | π-π Stacked | |
| Compound 2-A: TYR161 | 3.91 | π-π Stacked | |
| Compound 2-A: ILE142 | 3.64 | π-Alkyl | |
| Compound 2-A: ILE142 | 4.98 | π-Alkyl | |
| Compound 2-A: LEU135 | 5.43 | π-Alkyl | |
| Compound 2-A: ALA158 | 4.91 | π-Alkyl | |
| Compound 2-A: LYS190 | 4.11 | π-Alkyl | |
| Compound 2-A: LYS190 | 3.09 | π-Alkyl | |
| Compound 2-A: LYS190 | 3.21 | π-Alkyl |