Ligand name: 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE
PDB ligand accession: 25A
DrugBank: n/a
PubChem: 449135
ChEMBL: CHEMBL414948
InChI Key: SIIZPVYVXNXXQG-UQTMIEBXSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC4C(C(OC4n5cnc6c5ncnc6N)COP(=O)(O)OC7C(C(OC7n8cnc9c8ncnc9N)COP(=O)(O)O)O)O)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 A5H025

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7DSY	Download	Experimental	e7dsya1 e7dsyb1 e7dsyb2 e7dsya1 e7dsya2 e7dsyb1	Repetitive alpha hairpins Repetitive alpha hairpins Protein kinase/SAICAR synthase/ATP-grasp Repetitive alpha hairpins Protein kinase/SAICAR synthase/ATP-grasp Repetitive alpha hairpins	LigPlot
7DTS	Download	Experimental	e7dtsa1 e7dtsb1 e7dtsb2 e7dtsa1 e7dtsa2 e7dtsb1	Repetitive alpha hairpins Repetitive alpha hairpins Protein kinase/SAICAR synthase/ATP-grasp Repetitive alpha hairpins Protein kinase/SAICAR synthase/ATP-grasp Repetitive alpha hairpins	LigPlot
6M11	Download	Experimental	e6m11a3 e6m11b2 e6m11b3 e6m11a2 e6m11a3 e6m11b2	Repetitive alpha hairpins Repetitive alpha hairpins Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot