Ligand name: 6,7-bis(fluoranyl)-3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one
PDB ligand accession: 86U
DrugBank: n/a
PubChem: 132451789
ChEMBL: n/a
InChI Key: AULNDINGOXSVFS-CYBMUJFWSA-N
SMILES: c1c2c(cc(c1F)F)N=CN(C2=O)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
5XIH	Download	Experimental	e5xihA2 e5xihB3 e5xihC2 e5xihD1	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