Compound name | No. of H bonds | Interacting residues | Binding free energy |
---|---|---|---|
XX5* | 3 | ASP367, LYS363, ASN368 | − 31.39 |
Neohesperidin | 3 | ASN51, ALA348, ASP350 | − 51.48 |
Hesperidin | 4 | TRP203, ASN394, SER511 | − 59.87 |
10-Paradol | 2 | ARG273, LYS363 | − 37.87 |
8-Paradol | 3 | ASN149, LYS363 | − 51.27 |
Scopoletin | 3 | ASN149, ASN368, LYS363 | − 40.32 |
10-Shogaol | 3 | ASN277, LYS363, ASP367 | − 44.61 |
8-Gingerol | 3 | ASP367, LYS363 | − 46.85 |
10-Gingerol | 2 | GLU406, ARG518 | − 33.72 |