Ligand name: NICOTINAMIDE
PDB ligand accession: NCA
DrugBank: DB02701
PubChem: 936
ChEMBL: CHEMBL1140
InChI Key: DFPAKSUCGFBDDF-UHFFFAOYSA-N
SMILES: c1cc(cnc1)C(=O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Pyridinecarboxylic 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
3U9H	Download	Experimental	e3u9hA1 e3u9hB1	ADP-ribosylation ADP-ribosylation	LigPlot
4HYF	Download	Experimental	e4hyfA1 e4hyfB2 e4hyfC2	ADP-ribosylation ADP-ribosylation ADP-ribosylation	LigPlot