Ligand name: 2',3'-O-[(1R,6R)-2,4,6-trinitrocyclohexa-2,4-diene-1,1-diyl]adenosine 5'-(trihydrogen diphosphate)
PDB ligand accession: 12D
DrugBank: n/a
PubChem: 49866401
ChEMBL: n/a
InChI Key: WYOHYTDXVJMKHS-BENPRDFYSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C4C(C(O3)COP(=O)(O)OP(=O)(O)O)OC5(O4)C(C=C(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: Purine nucleotides
      • Subclass: Purine ribonucleotides

List of PDB structures and/or AlphaFold models with target protein P04191

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3AR6	Download	Experimental	e3ar6A4 e3ar6A5	Metal cation-transporting ATPase, ATP-binding domain HAD domain-related	LigPlot