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 P0CE13

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6OK4	Download	Experimental	e6ok4A1 e6ok4A2 e6ok4C2 e6ok4B1 e6ok4B2 e6ok4D1 e6ok4A1 e6ok4A2 e6ok4C1 e6ok4C2 e6ok4B1 e6ok4D1 e6ok4D2	Rossmann-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like	LigPlot
6X2E	Download	Experimental	e6x2eA1 e6x2eA2 e6x2eC2 e6x2eA1 e6x2eA2 e6x2eC1 e6x2eC2 e6x2eB2 e6x2eD1 e6x2eD2	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	LigPlot
6WYC	Download	Experimental	e6wycA1 e6wycA2 e6wycC2 e6wycB1 e6wycB2 e6wycD2 e6wycA1 e6wycA2 e6wycC1 e6wycC2 e6wycB2 e6wycD1 e6wycD2	FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-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	LigPlot