No | Proteins | PDB ID | Protein structure | Test compounds | Affinity (kcal/mol) |
---|---|---|---|---|---|
1 | PTGS1 | 3N8W | Arachidonic acid ( +)-catechin Beta-sitosterol Dinatin Hinokinin Isorhamnetin Moslosooflavone Pratensein Rivularin Salvigenin SkullcapflavoneII Xyloidone | − 5.3 − 7.7 − 10.6 − 8.8 − 9.5 − 9.5 − 8.5 − 9.2 − 8.4 − 8.6 − 8.1 − 8.8 | |
2 | PTGS2 | 5F19 | Arachidonic acid SkullcapflavoneII Salvigenin Rivularin Pratensein Moslosooflavone Isorhamnetin Hinokinin Dinatin Beta-sitosterol ( +)-catechin Xyloidone | − 5.7 − 9.4 − 9.2 − 9.5 − 9.4 − 9.5 − 9.3 − 9.8 − 9.6 − 9.4 − 9.2 − 9.1 | |
3 | ALOX5 | 3O8Y | Arachidonic acid | − 5.1 | |
4 | CASP3 | 3GJR3GJR | Luteolin Arachidonic acid | − 7.4 − 6.2 | |
5 | F7 | 4EH8 | SkullcapflavoneII Salvigenin Rivularin Isorhamnetin | − 7.8 − 8.0 − 8.0 − 8.4 | |
6 | F10 | 2GD4 | SkullcapflavoneII Salvigenin Rivularin | − 7.5 − 7.8 − 8.0 | |
7 | LTA4H | 3B7S | Xyloidone | − 8.5 |