PDB ligand accession: 6JP
DrugBank: DB01094
PubChem:
ChEMBL:
InChI Key: AIONOLUJZLIMTK-AWEZNQCLSA-N
SMILES: COc1ccc(cc1O)C2CC(=O)c3c(cc(cc3O2)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Flavonoids
- Subclass: O-methylated flavonoids
- Class: Flavonoids
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5JDC | Download | Experimental | e5jdcA1 e5jdcD1 e5jdcB1 e5jdcC1 | Rossmann-like Rossmann-like Rossmann-like Rossmann-like | LigPlot |