Ligand name: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
PDB ligand accession: NAD
DrugBank: DB14128
PubChem: 5892;5288979;10897651;73415790;
ChEMBL: CHEMBL1234613
InChI Key: BAWFJGJZGIEFAR-NNYOXOHSSA-N
SMILES: c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
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 Q46UZ9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3S2F	Download	Experimental	e3s2fC2 e3s2fE1 e3s2fE2 e3s2fF1 e3s2fF2 e3s2fD2 e3s2fG1 e3s2fG2 e3s2fA2 e3s2fB2 e3s2fH1 e3s2fH2	Rossmann-like GroES-like Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like	LigPlot
3S2I	Download	Experimental	e3s2iA2 e3s2iG1 e3s2iG2 e3s2iH1 e3s2iH2 e3s2iB2	Rossmann-like GroES-like Rossmann-like GroES-like Rossmann-like Rossmann-like	LigPlot
3S2G	Download	Experimental	e3s2gC2 e3s2gE1 e3s2gE2 e3s2gF1 e3s2gF2 e3s2gD2 e3s2gA2 e3s2gG1 e3s2gG2 e3s2gH1 e3s2gH2 e3s2gB2	Rossmann-like GroES-like Rossmann-like GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like GroES-like Rossmann-like Rossmann-like	LigPlot
3S2E	Download	Experimental	e3s2eE1 e3s2eE2 e3s2eC2 e3s2eF1 e3s2eF2 e3s2eD2 e3s2eA2 e3s2eG1 e3s2eG2 e3s2eH1 e3s2eH2 e3s2eB2	GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like GroES-like Rossmann-like Rossmann-like	LigPlot