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 Q6GIL8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3K9Q	Download	Experimental	e3k9qQ1 e3k9qQ2 e3k9qP1 e3k9qP2 e3k9qO1 e3k9qO2 e3k9qR1 e3k9qR2 e3k9qQ1 e3k9qP1 e3k9qP2	FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like	LigPlot
3LC1	Download	Experimental	e3lc1P1 e3lc1P2 e3lc1Q1 e3lc1R1 e3lc1R2 e3lc1O1 e3lc1O2 e3lc1P1 e3lc1P2 e3lc1Q1 e3lc1Q2	FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like	LigPlot
3HQ4	Download	Experimental	e3hq4R1 e3hq4R2 e3hq4O1 e3hq4O2 e3hq4P1 e3hq4P2 e3hq4Q1 e3hq4P1 e3hq4P2 e3hq4Q1 e3hq4Q2	FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like	LigPlot
3LVF	Download	Experimental	e3lvfP1 e3lvfP2 e3lvfQ1 e3lvfR1 e3lvfR2 e3lvfO1 e3lvfO2 e3lvfP1 e3lvfP2 e3lvfQ1 e3lvfQ2	FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like	LigPlot
3K73	Download	Experimental	e3k73Q1 e3k73Q2 e3k73P1 e3k73P2 e3k73O1 e3k73O2 e3k73R1 e3k73R2 e3k73Q1 e3k73P1 e3k73P2	FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like	LigPlot
3VAZ	Download	Experimental	e3vazP1 e3vazP2 e3vazQ1 e3vazR1 e3vazR2 e3vazO1 e3vazO2 e3vazP1 e3vazP2 e3vazQ1 e3vazQ2 e3vazB1 e3vazB2 e3vazA1 e3vazA2	FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like	LigPlot
3KV3	Download	Experimental	e3kv3O1 e3kv3O2 e3kv3R1 e3kv3R2 e3kv3Q1 e3kv3Q2 e3kv3P1 e3kv3P2 e3kv3Q1 e3kv3P1 e3kv3P2	FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like	LigPlot
3KSD	Download	Experimental	e3ksdQ1 e3ksdQ2 e3ksdP1 e3ksdP2 e3ksdR1 e3ksdR2 e3ksdO1 e3ksdO2 e3ksdQ1 e3ksdP1 e3ksdP2	FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like	LigPlot
3L4S	Download	Experimental	e3l4sQ1 e3l4sQ2 e3l4sP1 e3l4sP2 e3l4sQ1 e3l4sP1 e3l4sP2 e3l4sO1 e3l4sO2 e3l4sR1 e3l4sR2	FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like	LigPlot
3KSZ	Download	Experimental	e3kszO1 e3kszO2 e3kszR1 e3kszR2 e3kszP1 e3kszP2 e3kszQ1 e3kszP1 e3kszP2 e3kszQ1 e3kszQ2	FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like	LigPlot