Ligand name: Jerantinine B
PDB ligand accession: EX5
DrugBank: n/a
PubChem: 25058089
ChEMBL: CHEMBL524485
InChI Key: ZWUDUCJVIQMXIN-YOQJOLSQSA-N
SMILES: CCC12CC(=C3C4(C1N(CC4)CC5C2O5)c6cc(c(cc6N3)OC)OC(=O)C)C(=O)OC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Alkaloids and derivatives
    • Class: Aspidospermatan-type alkaloids
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P81947

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6GF3	Download	Experimental	e6gf3A1 e6gf3A2 e6gf3B1 e6gf3B2	Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like	LigPlot