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 P28845

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1XU9	Download	Experimental	e1xu9A1 e1xu9B1 e1xu9D1 e1xu9A1 e1xu9C1 e1xu9B1 e1xu9C1 e1xu9B1 e1xu9D1 e1xu9A1 e1xu9C1 e1xu9D1	Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot
3CZR	Download	Experimental	e3czrA1 e3czrB1	Rossmann-like Rossmann-like	LigPlot
1XU7	Download	Experimental	e1xu7D1 e1xu7A1 e1xu7B1 e1xu7C1 e1xu7A1 e1xu7B1 e1xu7D1 e1xu7C1	Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot