Ligand name: CALYSTEGINE B2
PDB ligand accession: CGB
DrugBank: DB04658
PubChem: 124434
ChEMBL: CHEMBL526330
InChI Key: FXFBVZOJVHCEDO-IBISWUOJSA-N
SMILES: C1CC2(C(C(C(C1N2)O)O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Alkaloids and derivatives
    • Class: Tropane alkaloids
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P48825

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4IIE	Download	Experimental	e4iieA2 e4iieA1 e4iieB2 e4iieB1	Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel	LigPlot