Ligand name: NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT
PDB ligand accession: NAE
DrugBank: DB02732
PubChem: 5288882;131704217;
ChEMBL: n/a
InChI Key: SGHBFOOIAAJJMI-YDKVLQLQSA-N
SMILES: CC(=O)Cc1cc[n+](cc1C(=O)N)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: (5'->5')-dinucleotides
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q81UV8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3I3O	Download	Experimental	e3i3oA1 e3i3oB1 e3i3oC1 e3i3oD1 e3i3oE1 e3i3oF1 e3i3oH1	Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot