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| |||||
|---|---|---|---|---|---|
| Compound | R | Energy (kcal mol−1) | Hydrogen bond | Halogen bond | Hydrophobic interaction |
| 4g | — | −7.96 | GLY143, SER144, CYS145 | — | PHE140, GLU166 |
| 4h | Me | −8.22 | GLY143, SER144, CYS145 | — | PHE140 |
| 4i | OMe | −7.90 | ASN142, GLY143, SER144, CYS145 | — | PHE140, GLU166 |
| 4j | Cl | −8.18 | GLY143, SER144, CYS145 | — | PHE140, GLU166 |
| 4k | Br | −8.28 | ASN142, GLY143, SER144, CYS145 | — | PHE140 |
