Table 7.
Pharmacophore features of syringic acid (SA) interactions with KEAP1, including hydrogen bond acceptors and hydrophobic aromatic ring interactions
| Rank | Feature Label | Score | X | Y | Z | Type | Num | From Chemscore | Source |
|---|---|---|---|---|---|---|---|---|---|
| 1 | A3 | -1.60 | 14.66 | 70.2127 | 32.7909 | A | 2 | 0 | HBond |
| 2 | D6 | -1.33 | 12.1336 | 64.0978 | 32.1747 | D | 5 | 0 | HBond |
| 3 | R10 | -0.72 | 13.642 | 66.9653 | 31.7454 | R | 9 | 0 | RingChemscoreHphobe |