Ligand name: 3-[(3~{a}~{S},4~{R},8~{a}~{S},8~{b}~{R})-4-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-1,3-bis(oxidanylidene)-4,6,7,8,8~{a},8~{b}-hexahydro-3~{a}~{H}-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium
PDB ligand accession: BI7
DrugBank: n/a
PubChem: 25113610
ChEMBL: CHEMBL1626802
InChI Key: IMQAZTOPHVBANA-DSYPUSFNSA-N
SMILES: C[N+](C)(C)CCCN1C(=O)C2C3CCCN3C(C2C1=O)c4cc(on4)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
2JKH	Download	Experimental	e2jkhA1	cradle loop barrel	LigPlot