PDB ligand accession: HUL
DrugBank: DB14008
PubChem:
ChEMBL:
InChI Key: IHFBPDAQLQOCBX-UHFFFAOYSA-N
SMILES: COc1c(cc2c(c1O)C(=O)C=C(O2)c3ccc(cc3)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 |
---|---|---|---|---|---|
4XH6 | Download | Experimental | e4xh6A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |