Ligand name: Digitonin
PDB ligand accession: AJP
DrugBank: n/a
PubChem: 6474107
ChEMBL: n/a
InChI Key: UVYVLBIGDKGWPX-KUAJCENISA-N
SMILES: CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Steroids and steroid derivatives
      • Subclass: Steroidal glycosides

List of PDB structures and/or AlphaFold models with target protein P62095

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7OUI	Download	Experimental	e7ouiA1 e7ouiD1 e7ouiF1 e7ouia1 e7ouid1 e7ouif1	Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like Cytochrome b559 subunits Bacterial photosystem II reaction centre L and M subunits-like Bacterial photosystem II reaction centre L and M subunits-like Cytochrome b559 subunits	LigPlot