Ligand name: (3AS,4R,5S,8AS,8BR)-4-[5-(5-CHLOROTHIOPHEN-2-YL)-1,2-OXAZOL-3-YL]-2-[3-[1-(2-HYDROXYETHYL)PYRROLIDIN-1-IUM-1-YL]PROPYL]-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZINE-1,3-DIONE
PDB ligand accession: XWG
DrugBank: n/a
PubChem: 54751668
ChEMBL: CHEMBL5266057
InChI Key: NGWQPUFWVMNLQW-ZMVGRULKSA-N
SMILES: c1cc(sc1c2cc(no2)C3C4C(C5N3CCC5)C(=O)N(C4=O)CCC[N+]6(CCCC6)CCO)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
2Y5F	Download	Experimental	e2y5fA1	cradle loop barrel	LigPlot