PDB ligand accession: QSO
DrugBank: DB15334
PubChem:
ChEMBL:
InChI Key: WUADCCWRTIWANL-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)C2=COc3cc(cc(c3C2=O)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Isoflavonoids
- Subclass: O-methylated isoflavonoids
- Class: Isoflavonoids
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4FJ2 | Download | Experimental | e4fj2B1 e4fj2D1 | Rossmann-like Rossmann-like | LigPlot |