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 P21695

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1X0X	Download	Experimental	e1x0xA1 e1x0xA2	6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like	LigPlot
6E8Z	Download	Experimental	e6e8zA1 e6e8zA2 e6e8zB1	Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like	LigPlot
6PYP	Download	Experimental	e6pypA2	Rossmann-like	LigPlot
6E90	Download	Experimental	e6e90A1 e6e90A2 e6e90B1 e6e90B2 e6e90C2	6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like	LigPlot
1WPQ	Download	Experimental	e1wpqA1 e1wpqA2 e1wpqB1 e1wpqB2	6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like	LigPlot