Ligand name: (1R,2S,4aS,4bS,8aS,10S,10aS)-2-[(2S)-3-methoxy-2-methyl-2-oxidanyl-3-oxidanylidene-propanoyl]-2,3,4b,8,8,10a-hexamethyl-10-oxidanyl-7,9-bis(oxidanylidene)-1,4a,5,6,8a,10-hexahydrophenanthrene-1-carboxylic acid
PDB ligand accession: 7X0
DrugBank: n/a
PubChem: 129011637
ChEMBL: n/a
InChI Key: LIOASRYHIAHNQJ-MVORVNTJSA-N
SMILES: CC1=CC2C3(CCC(=O)C(C3C(=O)C(C2(C(C1(C)C(=O)C(C)(C(=O)OC)O)C(=O)O)C)O)(C)C)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
5WQI	Download	Experimental	e5wqiA1 e5wqiB1 e5wqiC1 e5wqiD1 e5wqiE1 e5wqiF1	Cystatin-like Cystatin-like Cystatin-like Cystatin-like Cystatin-like Cystatin-like	LigPlot