Ligand name: 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one
PDB ligand accession: HFG
DrugBank: DB04866
PubChem: 456390
ChEMBL: CHEMBL1199540
InChI Key: LVASCWIMLIKXLA-CABCVRRESA-N
SMILES: c1c2c(cc(c1Cl)Br)N=CN(C2=O)CC(=O)CC3C(CCCN3)O
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
5XIQ	Download	Experimental	e5xiqA2 e5xiqB2 e5xiqC2 e5xiqD1	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