Ligand name: N-{4-[(2-chlorophenyl)(pyrimidin-4-yl)carbamoyl]phenyl}-4-methoxybenzamide
PDB ligand accession: 8IR
DrugBank: n/a
PubChem: 105539834
ChEMBL: CHEMBL3752492
InChI Key: XGSDYBUNVFYCTB-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)N(c3ccccc3Cl)c4ccncn4
Drug action: n/a

ClassyFire chemical classification:

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

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
5AEH	Download	Experimental	e5aehA1 e5aehB1	ADP-ribosylation ADP-ribosylation	LigPlot