Ligand name: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE
PDB ligand accession: CPS
DrugBank: n/a
PubChem: 107670
ChEMBL: CHEMBL450950
InChI Key: UMCMPZBLKLEWAF-BCTGSCMUSA-N
SMILES: CC(CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
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 Q8I6V3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7VE2	Download	Experimental	e7ve2A1	cradle loop barrel	LigPlot
5YIA	Download	Experimental	e5yiaA1	cradle loop barrel	LigPlot
5YIC	Download	Experimental	e5yicA1	cradle loop barrel	LigPlot
5YIE	Download	Experimental	e5yieA1	cradle loop barrel	LigPlot
5YIB	Download	Experimental	e5yibA1	cradle loop barrel	LigPlot
5YID	Download	Experimental	e5yidA1	cradle loop barrel	LigPlot
7VE0	Download	Experimental	e7ve0A1 e7ve0B1	cradle loop barrel cradle loop barrel	LigPlot