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 Q9NTG7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4BN5	Download	Experimental	e4bn5A1 e4bn5B1 e4bn5C1 e4bn5D1 e4bn5E1 e4bn5F1 e4bn5G1 e4bn5H1 e4bn5I1 e4bn5J1 e4bn5K1 e4bn5L1	Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot
4FVT	Download	Experimental	e4fvtA1	Rossmann-like	LigPlot