Ligand name: 6-chloranyl-7-fluoranyl-3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one
PDB ligand accession: 86X
DrugBank: n/a
PubChem: 132451790
ChEMBL: n/a
InChI Key: AAHVYVICLLIXKC-CYBMUJFWSA-N
SMILES: c1c2c(cc(c1Cl)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
5XII	Download	Experimental	e5xiiA1 e5xiiB3 e5xiiC2 e5xiiD2	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