No | Proteins | PDB ID | Protein structure | Test compounds | Affinity(kcal/mol) |
---|---|---|---|---|---|
1 | AKT1 | 6NPZ | 7Omethylisomucronulatol | − 6.8 | |
Baicalein | − 8.4 | ||||
Beta-sitosterol | − 8.4 | ||||
Formononetin | − 8.3 | ||||
Isorhamnetin | − 7.9 | ||||
Kaempferol | − 7.8 | ||||
Licochalconea | − 7.5 | ||||
Luteolin | − 8.1 | ||||
Quercetin | − 8.0 | ||||
Wogonin | − 7.5 | ||||
2 | ESR1 | 4PXM | 7Omethylisomucronulatol | − 5.7 | |
Baicalein | − 8.1 | ||||
Beta-sitosterol | − 5.2 | ||||
Formononetin | − 5.9 | ||||
Isorhamnetin | − 6.1 | ||||
Kaempferol | − 7.3 | ||||
Licochalconea | − 5.5 | ||||
Luteolin | − 7.2 | ||||
Quercetin | − 6.3 | ||||
Wogonin | − 8.0 | ||||
3 | MAPK14 | 6SFO | 7Omethylisomucronulatol | − 7.4 | |
Baicalein | − 9.6 | ||||
Beta-sitosterol | − 7.4 | ||||
Formononetin | − 9.3 | ||||
Isorhamnetin | − 8.7 | ||||
Kaempferol | − 9.2 | ||||
Licochalconea | − 8.3 | ||||
Luteolin | − 9.3 | ||||
Quercetin | − 9.3 | ||||
Wogonin | − 8.9 | ||||
4 | PTGS2 | 5F19 | 7Omethylisomucronulatol | − 7.5 | |
Baicalein | − 9.0 | ||||
Beta-sitosterol | − 7.3 | ||||
Formononetin | − 8.4 | ||||
Isorhamnetin | − 9.2 | ||||
Kaempferol | − 8.1 | ||||
Licochalconea | − 8.9 | ||||
Luteolin | − 8.9 | ||||
Quercetin | − 8.7 | ||||
Wogonin | − 8.4 | ||||
5 | TNF-α | 3M2W | 7Omethylisomucronulatol | − 7.7 | |
Baicalein | − 9.4 | ||||
Beta-sitosterol | − 9.2 | ||||
Formononetin | − 9.0 | ||||
Isorhamnetin | − 9.1 | ||||
Kaempferol | − 8.9 | ||||
Licochalconea | − 8.7 | ||||
Luteolin | − 9.5 | ||||
Quercetin | − 9.2 | ||||
Wogonin | − 9.2 | ||||
6 | TGFβ1 | 5VQP | 7Omethylisomucronulatol | − 8.3 | |
Baicalein | − 7.6 | ||||
Beta-sitosterol | − 7.9 | ||||
Formononetin | − 9.3 | ||||
Isorhamnetin | − 8.5 | ||||
Kaempferol | − 8.4 | ||||
Licochalconea | − 9.0 | ||||
Luteolin | − 7.3 | ||||
Quercetin | − 9.4 | ||||
Wogonin | − 8.5 |