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 Q46E80

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4Q3A	Download	Experimental	e4q3aA1 e4q3aD1 e4q3aA2 e4q3aB1 e4q3aC1 e4q3aB2 e4q3aB1 e4q3aC1 e4q3aC2 e4q3aA1 e4q3aD1 e4q3aA2 e4q3aD2	Rossmann-like Rossmann-like Flavodoxin-like Rossmann-like Rossmann-like Flavodoxin-like Rossmann-like Rossmann-like Flavodoxin-like Rossmann-like Rossmann-like Flavodoxin-like Flavodoxin-like	LigPlot
4Q3B	Download	Experimental	e4q3bA1 e4q3bD1 e4q3bA2 e4q3bB1 e4q3bC1 e4q3bB2 e4q3bB1 e4q3bC1 e4q3bC2 e4q3bA1 e4q3bD1 e4q3bA2 e4q3bD2	Rossmann-like Rossmann-like Flavodoxin-like Rossmann-like Rossmann-like Flavodoxin-like Rossmann-like Rossmann-like Flavodoxin-like Rossmann-like Rossmann-like Flavodoxin-like Flavodoxin-like	LigPlot
4J4H	Download	Experimental	e4j4hA1 e4j4hC1 e4j4hA2 e4j4hB1 e4j4hB2 e4j4hA1 e4j4hC1 e4j4hA2 e4j4hC2 e4j4hD1 e4j4hD2	Rossmann-like Rossmann-like Flavodoxin-like Rossmann-like Flavodoxin-like Rossmann-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Flavodoxin-like	LigPlot
4J4B	Download	Experimental	e4j4bA1 e4j4bB1 e4j4bA2 e4j4bA1 e4j4bB1 e4j4bA2 e4j4bB2	Rossmann-like Rossmann-like Flavodoxin-like Rossmann-like Rossmann-like Flavodoxin-like Flavodoxin-like	LigPlot
4Q39	Download	Experimental	e4q39A1 e4q39B1 e4q39A2 e4q39A1 e4q39B1 e4q39A2 e4q39B2	Rossmann-like Rossmann-like Flavodoxin-like Rossmann-like Rossmann-like Flavodoxin-like Flavodoxin-like	LigPlot
4J49	Download	Experimental	e4j49B1 e4j49B2	Rossmann-like Flavodoxin-like	LigPlot