Ligand name: 3-[(3AS,4R,5S,8AS,8BR)-4-[2-(5-CHLOROTHIOPHEN-2-YL)-1,3-OXAZOL-4-YL]-1,3-DIOXO-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZIN-2-YL]PROPYL-TRIMETHYL-AZANIUM
PDB ligand accession: Y5H
DrugBank: n/a
PubChem: 54751670
ChEMBL: CHEMBL4294106
InChI Key: JCNHSXPHCSYYCR-QZHFEQFPSA-N
SMILES: C[N+](C)(C)CCCN1C(=O)C2C3CCCN3C(C2C1=O)c4coc(n4)c5ccc(s5)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolizidines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P00742

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2Y5H	Download	Experimental	e2y5hA1	cradle loop barrel	LigPlot