Ligand name: 4-[3-(4-oxo-3,4-dihydroquinazolin-2- yl)propanamido]-N-(quinolin-8-yl)benzamide
PDB ligand accession: 5ZI
DrugBank: n/a
PubChem: 122706704;135567125;
ChEMBL: CHEMBL4098188
InChI Key: HILQRGHXDPSDBM-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)C(=O)NC(=N2)CCC(=O)Nc3ccc(cc3)C(=O)Nc4cccc5c4nccc5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein Q9H2K2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5FPF	Download	Experimental	e5fpfA1 e5fpfC1 e5fpfB1 e5fpfD1	ADP-ribosylation ADP-ribosylation ADP-ribosylation ADP-ribosylation	LigPlot