Ligand name: (2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid (non-preferred name)
PDB ligand accession: 3G6
DrugBank: n/a
PubChem: 12897711
ChEMBL: n/a
InChI Key: QETBTXOVEBTJQH-WAMTXRNCSA-N
SMILES: CC(C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Steroids and steroid derivatives
      • Subclass: Bile acids, alcohols and derivatives

List of PDB structures and/or AlphaFold models with target protein I6XHI4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4UBT	Download	Experimental	e4ubtA1 e4ubtA2 e4ubtB1 e4ubtA1 e4ubtA2 e4ubtB1 e4ubtB2 e4ubtC1 e4ubtC2	Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like	LigPlot