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 PDB structures and/or AlphaFold models with target protein P00366

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3JD4	Download	Experimental	e3jd4A2 e3jd4C1 e3jd4A3 e3jd4C2 e3jd4A2 e3jd4B1 e3jd4A3 e3jd4B2 e3jd4C1 e3jd4C2 e3jd4D2 e3jd4F2 e3jd4D3 e3jd4F3 e3jd4D2 e3jd4E2 e3jd4D3 e3jd4E3 e3jd4F2 e3jd4F3	Rossmann-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Flavodoxin-like Rossmann-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Flavodoxin-like	LigPlot
3JD2	Download	Experimental	e3jd2A1 e3jd2B1 e3jd2A2 e3jd2B2 e3jd2B1 e3jd2C1 e3jd2B2 e3jd2C2 e3jd2C1 e3jd2C2 e3jd2D1 e3jd2E2 e3jd2D2 e3jd2E3 e3jd2E2 e3jd2F1 e3jd2E3 e3jd2F2 e3jd2F1 e3jd2F2	Rossmann-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Flavodoxin-like Rossmann-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Flavodoxin-like	LigPlot
3JD1	Download	Experimental	e3jd1A2 e3jd1C1 e3jd1A3 e3jd1C2 e3jd1A2 e3jd1B2 e3jd1A3 e3jd1B3 e3jd1B2 e3jd1C1 e3jd1B3 e3jd1C2 e3jd1D1 e3jd1F2 e3jd1D2 e3jd1F3 e3jd1D1 e3jd1E2 e3jd1D2 e3jd1E3 e3jd1E2 e3jd1F2 e3jd1E3 e3jd1F3	Rossmann-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Rossmann-like Flavodoxin-like Flavodoxin-like	LigPlot
3JD3	Download	Experimental	e3jd3A1 e3jd3B1 e3jd3A2 e3jd3B2 e3jd3B1 e3jd3C2 e3jd3B2 e3jd3C3 e3jd3C2 e3jd3C3 e3jd3D2 e3jd3E1 e3jd3D3 e3jd3E2 e3jd3E1 e3jd3F1 e3jd3E2 e3jd3F2 e3jd3F1 e3jd3F2	Rossmann-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Flavodoxin-like Rossmann-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Flavodoxin-like	LigPlot