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 Q16836

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1IL0	Download	Experimental	e1il0A1 e1il0A2 e1il0B1 e1il0B2	6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like	LigPlot
2HDH	Download	Experimental	e2hdhA1 e2hdhA2 e2hdhB1 e2hdhB2	6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like	LigPlot
3HAD	Download	Experimental	e3hadA1 e3hadA2 e3hadB1 e3hadB2	6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like	LigPlot
1F0Y	Download	Experimental	e1f0yA1 e1f0yA2 e1f0yB1 e1f0yB2	6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like	LigPlot
1M75	Download	Experimental	e1m75A1 e1m75A2 e1m75B1 e1m75B2	6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like	LigPlot
1LSO	Download	Experimental	e1lsoA1 e1lsoA2 e1lsoB1 e1lsoB2	6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like	LigPlot
1M76	Download	Experimental	e1m76A1 e1m76A2 e1m76B1 e1m76B2	6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like	LigPlot
1LSJ	Download	Experimental	e1lsjA1 e1lsjA2 e1lsjB1 e1lsjB2	6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like	LigPlot