Ligand name: 3-[2-oxidanylidene-3-[(2R,3R)-3-oxidanylpiperidin-2-yl]propyl]-5,6,7,8-tetrahydroquinazolin-4-one
PDB ligand accession: 87C
DrugBank: n/a
PubChem: 132451792
ChEMBL: n/a
InChI Key: ZMMDIKHKFCGQDK-HUUCEWRRSA-N
SMILES: C1CCC2=C(C1)C(=O)N(C=N2)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
5XIK	Download	Experimental	e5xikA2 e5xikB2 e5xikC1 e5xikD1	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