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 Q5HCU0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4MPY	Download	Experimental	e4mpyA1 e4mpyA2 e4mpyB1 e4mpyB2 e4mpyC1 e4mpyC2 e4mpyD1 e4mpyD2 e4mpyE1 e4mpyE2 e4mpyF1 e4mpyF2 e4mpyG1 e4mpyG2 e4mpyH1 e4mpyH2	ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like	LigPlot
4QN2	Download	Experimental	e4qn2A1 e4qn2A2 e4qn2B1 e4qn2B2 e4qn2C1 e4qn2C2 e4qn2D1 e4qn2D2 e4qn2E1 e4qn2E2 e4qn2F1 e4qn2F2 e4qn2G1 e4qn2G2 e4qn2H1 e4qn2H2	ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like	LigPlot
4NEA	Download	Experimental	e4neaA1 e4neaA2 e4neaB1 e4neaB2 e4neaC1 e4neaC2 e4neaD1 e4neaD2	ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like	LigPlot
4ZXU	Download	Experimental	e4zxuA1 e4zxuA2 e4zxuB1 e4zxuB2 e4zxuC1 e4zxuC2 e4zxuD1 e4zxuD2 e4zxuE1 e4zxuE2 e4zxuF1 e4zxuF2 e4zxuG1 e4zxuG2 e4zxuH1 e4zxuH2	ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like	LigPlot
4ZWL	Download	Experimental	e4zwlA1 e4zwlA2 e4zwlB1 e4zwlB2 e4zwlC1 e4zwlC2 e4zwlD1 e4zwlD2 e4zwlE1 e4zwlE2 e4zwlF1 e4zwlF2 e4zwlG1 e4zwlG2 e4zwlH1 e4zwlH2	ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like	LigPlot