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 P32794

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7NKU	Download	Experimental	e7nkuA2 e7nkuA4 e7nkuB2 e7nkuB2 e7nkuB3 e7nkuC1 e7nkuC4 e7nkuD1 e7nkuD2 e7nkuE1 e7nkuE2 e7nkuE1 e7nkuE2 e7nkuF2 e7nkuA2 e7nkuA4 e7nkuF2 e7nkuF4	Histone-like P-loop domains-like P-loop domains-like P-loop domains-like Histone-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like	LigPlot
7Z11	Download	Experimental	e7z11C1 e7z11C1 e7z11C4 e7z11D1 e7z11D1 e7z11D4	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like	LigPlot
7Z34	Download	Experimental	e7z34x1 e7z34x2 e7z34x5	P-loop domains-like P-loop domains-like Histone-like	LigPlot