Ligand name: 4-iodo-3-nitrobenzamide
PDB ligand accession: 33E
DrugBank: DB13877
PubChem: 9796068
ChEMBL: CHEMBL1170047
InChI Key: MDOJTZQKHMAPBK-UHFFFAOYSA-N
SMILES: c1cc(c(cc1C(=O)N)[N+](=O)[O-])I
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
4TKI	Download	Experimental	e4tkiA1 e4tkiB1 e4tkiC1 e4tkiD1	ADP-ribosylation ADP-ribosylation ADP-ribosylation ADP-ribosylation	LigPlot