Ligand name: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE
PDB ligand accession: NAI
DrugBank: DB00157
PubChem: 439153
ChEMBL: CHEMBL1234616
InChI Key: BOPGDPNILDQYTO-NNYOXOHSSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N)O)O)O)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 drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P32322

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8DKG	Download	Experimental	e8dkgA1 e8dkgA2 e8dkgB2 e8dkgA1 e8dkgA2 e8dkgB1 e8dkgB2 e8dkgC1 e8dkgC2 e8dkgD2 e8dkgC2 e8dkgD1 e8dkgD2 e8dkgE1 e8dkgE2	Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like	LigPlot
2GR9	Download	Experimental	e2gr9A1 e2gr9A2 e2gr9B1 e2gr9B2 e2gr9C1 e2gr9C2 e2gr9D1 e2gr9D2 e2gr9E1 e2gr9E2	6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like	LigPlot