Ligand name: Coumestrol
PDB ligand accession: CUE
DrugBank: n/a
PubChem: 5281707
ChEMBL: CHEMBL30707
InChI Key: ZZIALNLLNHEQPJ-UHFFFAOYSA-N
SMILES: c1cc2c(cc1O)oc-3c2C(=O)Oc4c3ccc(c4)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Isoflavonoids
      • Subclass: Coumestans

List of PDB structures and/or AlphaFold models with target protein P68400

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6HNW	Download	Experimental	e6hnwA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot