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 P22513

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3IDS	Download	Experimental	e3idsD1 e3idsD2 e3idsA1 e3idsA2	FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like	LigPlot
3DMT	Download	Experimental	e3dmtD1 e3dmtA1 e3dmtA2 e3dmtC1 e3dmtB1 e3dmtB2 e3dmtC1 e3dmtB1 e3dmtC2 e3dmtD1 e3dmtA1 e3dmtA2 e3dmtD2	FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like Rossmann-like	LigPlot
1QXS	Download	Experimental	e1qxsB1 e1qxsC1 e1qxsC2 e1qxsD1 e1qxsA1 e1qxsD2 e1qxsA2 e1qxsD1 e1qxsA1 e1qxsA2 e1qxsB1 e1qxsC1 e1qxsB2	FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like Rossmann-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like	LigPlot
1ML3	Download	Experimental	e1ml3B1 e1ml3C1 e1ml3B2 e1ml3B1 e1ml3C1 e1ml3C2 e1ml3D1 e1ml3A1 e1ml3D2 e1ml3A2	FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like Rossmann-like	LigPlot