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 P03666

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7OFH	Download	Experimental	e7ofhA1 e7ofhB1 e7ofhB1 e7ofhC1 e7ofhC1 e7ofhD1 e7ofhD1 e7ofhE1 e7ofhE1 e7ofhF1 e7ofhF1 e7ofhG1 e7ofhG1 e7ofhH1 e7ofhH1 e7ofhI1 e7ofhI1 e7ofhJ1 e7ofhJ1 e7ofhK1 e7ofhK1 e7ofhL1 e7ofhL1 e7ofhM1 e7ofhM1 e7ofhN1 e7ofhN1 e7ofhO1	secretin domain secretin domain secretin domain secretin domain secretin domain secretin domain secretin domain secretin domain secretin domain secretin domain secretin domain secretin domain secretin domain secretin domain secretin domain secretin domain secretin domain secretin domain secretin domain secretin domain secretin domain secretin domain secretin domain secretin domain secretin domain secretin domain secretin domain secretin domain	LigPlot