Ligand name: 3-[(2R)-2-oxidanyl-3-[(2R,3R)-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one
PDB ligand accession: 873
DrugBank: n/a
PubChem: 132451791
ChEMBL: n/a
InChI Key: QGNITGLZWOVTKR-KCPJHIHWSA-N
SMILES: c1ccc2c(c1)C(=O)N(C=N2)CC(CC3C(CCCN3)O)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
5XIJ	Download	Experimental	e5xijA1 e5xijB3 e5xijC2 e5xijD3	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