Ligand name: 5-methyl-3-[4-(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-1,3-benzoxazol-2(3H)-one
PDB ligand accession: 36F
DrugBank: n/a
PubChem: 56947167
ChEMBL: CHEMBL3640001
InChI Key: LIWDYWLHGFRYPL-NYVOZVTQSA-N
SMILES: Cc1ccc2c(c1)N(C(=O)O2)CCCCn3cc(nn3)CCCCCC4C5C(CS4)NC(=O)N5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzoxazoles
      • Subclass: Benzoxazolones

List of PDB structures and/or AlphaFold models with target protein C8N5A9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3V7S	Download	Experimental	e3v7sA1	Class II aaRS and biotin synthetases	LigPlot