Compounds | Binding affinity (Kcal/mol) | Number of hydrogen bonds | Amino acid residues | Bond length (Ã…) |
---|---|---|---|---|
Artelinic acid |  − 7.60 | 3 | CYS 919, ASP 1046, GLU 885 | 2.33, 2.18, 2.45 |
Artemiside |  − 8.52 | 3 | CYS 919, GLU 885, PHE 1047 | 2.36, 2.48, 2.19 |
Artemisone |  − 8.89 | 3 | LEU 840, PHE 1047, ASP 1046 | 2.23, 2.21, 2.18 |
Artemotil |  − 7.50 | 2 | ASP 1046, VAL 899 | 2.44, 2.39 |
Artenimol |  − 7.28 | 3 | PHE 1047, ASP 1046, ALA 866 | 2.43, 2.45 |
Caffeic acid |  − 8.30 | 3 | CYS 919, ASP 1046, PHE 1047 | 2,50, 2.39, 2.35 |
Caftaric acid |  − 8.00 | 3 | PHE 1047, CYS 919, GLU 885 | 2.41, 2.51, 2.27, 2.56 |
Chicoric acid |  − 9.71 | 3 | ASP 1046, GLU 885, PHE 1047 | 2.40, 2.33, 2.39, 2.21, 2.18 |
Chlorogenic acid |  − 9.23 | 3 | ASP 1046, GLU 885, CYS 1045 | 2.52, 2.37,2.49 |
Echinacoside |  − 9.75 | 5 | ASP 1046, GLU 885, LYS 868, VAL 899, CYS 1045 | 2.32, 2.38, 2.36, 2.25, 2.23, 2.45 |
pyrrolopyrimidine |  − 7.15 | 3 | CYS 919, ASP 1046, GLU 885 | 2.36, 2.29, 2.41, 2.44 |