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 Q46E80

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4Q3E	Download	Experimental	e4q3eA1 e4q3eA2 e4q3eB1 e4q3eB2	Rossmann-like Flavodoxin-like Rossmann-like Flavodoxin-like	LigPlot
4J43	Download	Experimental	e4j43A1 e4j43A2 e4j43B1 e4j43B2	Rossmann-like Flavodoxin-like Rossmann-like Flavodoxin-like	LigPlot
4Q3D	Download	Experimental	e4q3dA1 e4q3dC1 e4q3dA2 e4q3dB1 e4q3dB2 e4q3dA1 e4q3dC1 e4q3dC2 e4q3dD1 e4q3dD2	Rossmann-like Rossmann-like Flavodoxin-like Rossmann-like Flavodoxin-like Rossmann-like Rossmann-like Flavodoxin-like Rossmann-like Flavodoxin-like	LigPlot
4JK3	Download	Experimental	e4jk3A1 e4jk3B1 e4jk3A2 e4jk3A1 e4jk3B1 e4jk3B2	Rossmann-like Rossmann-like Flavodoxin-like Rossmann-like Rossmann-like Flavodoxin-like	LigPlot
4Q3C	Download	Experimental	e4q3cA1 e4q3cD1 e4q3cA2 e4q3cB1 e4q3cC1 e4q3cB2 e4q3cB1 e4q3cC1 e4q3cC2 e4q3cA1 e4q3cD1 e4q3cA2 e4q3cD2	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
4J49	Download	Experimental	e4j49A1 e4j49A2	Rossmann-like Flavodoxin-like	LigPlot