Ligand name: methyl (2S,4aR,4bS,5S,6aS,10aS,10bS,12aS)-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene) -5,6a,9,10,10b,11-hexahydro-4aH-naphtho[1,2-h]isochromene-2-carboxylate
PDB ligand accession: 7MI
DrugBank: n/a
PubChem: 129011640
ChEMBL: CHEMBL4204435
InChI Key: VOCWMGRIYMFSCC-MVORVNTJSA-N
SMILES: CC1(C2C(=O)C(C3(C(C2(CCC1=O)C)CC(=C)C4(C3C(=O)OC(C4=O)(C)C(=O)OC)C)C)O)C
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q0C8A2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5WQG	Download	Experimental	e5wqgC1 e5wqgD1 e5wqgF1	Cystatin-like Cystatin-like Cystatin-like	LigPlot