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 O66841

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6HLM	Download	Experimental	e6hlmB1 e6hlmB2 e6hlmB3 e6hlmB3 e6hlmD1 e6hlmD2 e6hlmD3	Bromodomain-like beta-Grasp Nqo1 FMN-binding domain-like Nqo1 FMN-binding domain-like Bromodomain-like beta-Grasp Nqo1 FMN-binding domain-like	LigPlot
6HLA	Download	Experimental	e6hlaB1 e6hlaB2 e6hlaB3 e6hlaD1 e6hlaD2 e6hlaD3	Bromodomain-like Nqo1 FMN-binding domain-like beta-Grasp Bromodomain-like beta-Grasp Nqo1 FMN-binding domain-like	LigPlot
6HLI	Download	Experimental	e6hliB1 e6hliB2 e6hliB3 e6hliD1 e6hliD2 e6hliD3	Nqo1 FMN-binding domain-like Bromodomain-like beta-Grasp Bromodomain-like beta-Grasp Nqo1 FMN-binding domain-like	LigPlot
6HL3	Download	Experimental	e6hl3B1 e6hl3B2 e6hl3B3 e6hl3D1 e6hl3D2 e6hl3D3	Nqo1 FMN-binding domain-like Bromodomain-like beta-Grasp Bromodomain-like Nqo1 FMN-binding domain-like beta-Grasp	LigPlot