Ligand name: (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4, 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE
PDB ligand accession: KWT
DrugBank: DB08059
PubChem: 312145
ChEMBL: CHEMBL428496
InChI Key: QDLHCMPXEPAAMD-QAIWCSMKSA-N
SMILES: CC(=O)OC1CC2(C(CCC2=O)C3=C1C4(c5c(coc5C3=O)C(=O)OC4COC)C)C
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q4KMI8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3D5X	Download	Experimental	e3d5xA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot