Ligand name: 3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one
PDB ligand accession: 87F
DrugBank: n/a
PubChem: 132451788
ChEMBL: CHEMBL4529460
InChI Key: QJHHYCHORSWZHW-CQSZACIVSA-N
SMILES: c1ccc2c(c1)C(=O)N(C=N2)CCCC3C(=O)CCCN3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazanaphthalenes
      • Subclass: Benzodiazines

List of PDB structures and/or AlphaFold models with target protein S8G8I1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5XIG	Download	Experimental	e5xigA3 e5xigB3 e5xigC1 e5xigD3	Class II aaRS and biotin synthetases Class II aaRS and biotin synthetases Class II aaRS and biotin synthetases Class II aaRS and biotin synthetases	LigPlot