Ligand name: CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE
PDB ligand accession: CNA
DrugBank: DB02498
PubChem: 163884
ChEMBL: CHEMBL5220997
InChI Key: DGPLSUKWXXSBCU-VGXGLJSLSA-O
SMILES: c1cc(c[n+](c1)C2CC(C(C2O)O)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)C(=O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: Purine nucleotides
      • Subclass: Purine ribonucleotides

List of PDB structures and/or AlphaFold models with target protein Q8N5Y8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6HXS	Download	Experimental	e6hxsA1 e6hxsA2 e6hxsB1 e6hxsB2	ADP-ribosylation Domain of poly(ADP-ribose) polymerase Domain of poly(ADP-ribose) polymerase ADP-ribosylation	LigPlot