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 A0A1Q8I6M1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5OD3	Download	Experimental	e5od3A1 e5od3A2 e5od3D1 e5od3B1 e5od3B2 e5od3C2 e5od3B2 e5od3C1 e5od3C2 e5od3A2 e5od3D1 e5od3D2	GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like	LigPlot
5O8H	Download	Experimental	e5o8hA1 e5o8hA2 e5o8hC1 e5o8hB1 e5o8hB2 e5o8hD1 e5o8hA1 e5o8hC1 e5o8hC2 e5o8hB1 e5o8hD1 e5o8hD2	Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like	LigPlot
6FFX	Download	Experimental	e6ffxA1 e6ffxA2 e6ffxD2 e6ffxB1 e6ffxB2 e6ffxC1 e6ffxB1 e6ffxC1 e6ffxC2 e6ffxA2 e6ffxD1 e6ffxD2	GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like GroES-like Rossmann-like	LigPlot
6FFZ	Download	Experimental	e6ffzA1 e6ffzA2 e6ffzC2 e6ffzB1 e6ffzB2 e6ffzD2 e6ffzA1 e6ffzC1 e6ffzC2 e6ffzB1 e6ffzD1 e6ffzD2	Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like	LigPlot
5O9F	Download	Experimental	e5o9fA1 e5o9fA2 e5o9fD1 e5o9fB1 e5o9fB2 e5o9fC2 e5o9fB2 e5o9fC1 e5o9fC2 e5o9fA2 e5o9fD1 e5o9fD2	GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like	LigPlot
5O8Q	Download	Experimental	e5o8qA1 e5o8qA2 e5o8qE1 e5o8qB1 e5o8qB2 e5o8qH2 e5o8qC1 e5o8qC2 e5o8qF2 e5o8qD1 e5o8qD2 e5o8qG1 e5o8qG2 e5o8qA1 e5o8qE1 e5o8qE2 e5o8qC1 e5o8qF1 e5o8qF2 e5o8qD2 e5o8qG1 e5o8qG2 e5o8qB1 e5o8qH1 e5o8qH2	Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like GroES-like Rossmann-like	LigPlot
6FG0	Download	Experimental	e6fg0A1 e6fg0A2 e6fg0D1 e6fg0B1 e6fg0B2 e6fg0C2 e6fg0B1 e6fg0C1 e6fg0C2 e6fg0A2 e6fg0D1 e6fg0D2	GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like	LigPlot
5O9D	Download	Experimental	e5o9dA1 e5o9dA2 e5o9dD2 e5o9dB1 e5o9dB2 e5o9dC2 e5o9dB1 e5o9dC1 e5o9dC2 e5o9dA1 e5o9dD1 e5o9dD2	Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like	LigPlot