Ligand name: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
PDB ligand accession: AGS
DrugBank: DB02930
PubChem: 440317;444377;
ChEMBL: CHEMBL131890
InChI Key: NLTUCYMLOPLUHL-KQYNXXCUSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(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 P22869

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1XPR	Download	Experimental	e1xprA3 e1xprB3 e1xprA3 e1xprB3 e1xprC3 e1xprC3 e1xprD3 e1xprD3 e1xprE4 e1xprF3 e1xprE4	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot
1XPU	Download	Experimental	e1xpuA3 e1xpuB3 e1xpuA3 e1xpuB3 e1xpuC3 e1xpuD3 e1xpuC3 e1xpuF3 e1xpuE4	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot
1XPO	Download	Experimental	e1xpoA3 e1xpoB3 e1xpoA3 e1xpoC3 e1xpoB3 e1xpoC3 e1xpoD3 e1xpoD3 e1xpoE4 e1xpoF3 e1xpoE4	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot