Ligand name: 4-[3-(8-METHYL-4-OXO-3,4-DIHYDROQUINAZOLIN-2- YL)PROPANAMIDO]-N-(QUINOLIN-8-YL)BENZAMIDE
PDB ligand accession: Q28
DrugBank: n/a
PubChem: 122706705;135567126;
ChEMBL: CHEMBL4069447
InChI Key: VADYPHREEXKWAX-UHFFFAOYSA-N
SMILES: Cc1cccc2c1N=C(NC2=O)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
5FPG	Download	Experimental	e5fpgA1 e5fpgB1	ADP-ribosylation ADP-ribosylation	LigPlot