Ligand name: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE
PDB ligand accession: NAI
DrugBank: DB00157
PubChem: 439153
ChEMBL: CHEMBL1234616
InChI Key: BOPGDPNILDQYTO-NNYOXOHSSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N)O)O)O)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 P22985

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4YTY	Download	Experimental	e4ytyA1 e4ytyA3 e4ytyA6 e4ytyA7 e4ytyB1 e4ytyB3 e4ytyB6 e4ytyB8	FAD-binding domain-like beta-Grasp FAD-linked reductases, C-terminal domain-like MocoBD/DmpA-related beta-Grasp FAD-binding domain-like FAD-linked reductases, C-terminal domain-like MocoBD/DmpA-related	LigPlot
6AD4	Download	Experimental	e6ad4A1 e6ad4A4 e6ad4A7 e6ad4A8 e6ad4B1 e6ad4B6 e6ad4B7 e6ad4B8	FAD-binding domain-like beta-Grasp FAD-linked reductases, C-terminal domain-like MocoBD/DmpA-related FAD-linked reductases, C-terminal domain-like beta-Grasp FAD-binding domain-like MocoBD/DmpA-related	LigPlot
4YSW	Download	Experimental	e4yswA1 e4yswA2 e4yswA4 e4yswA7 e4yswB2 e4yswB4 e4yswB5 e4yswB7	beta-Grasp FAD-linked reductases, C-terminal domain-like FAD-binding domain-like MocoBD/DmpA-related beta-Grasp FAD-binding domain-like FAD-linked reductases, C-terminal domain-like MocoBD/DmpA-related	LigPlot
6AC1	Download	Experimental	e6ac1A1 e6ac1A4 e6ac1A5 e6ac1A6 e6ac1B4 e6ac1B5 e6ac1B6 e6ac1B9	FAD-binding domain-like beta-Grasp FAD-linked reductases, C-terminal domain-like MocoBD/DmpA-related FAD-binding domain-like FAD-linked reductases, C-terminal domain-like beta-Grasp MocoBD/DmpA-related	LigPlot