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 P35249

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7Z6H	Download	Experimental	e7z6hD2 e7z6hD3 e7z6hE1 e7z6hE2 e7z6hD2 e7z6hG2 e7z6hG3	P-loop domains-like Histone-like Histone-like P-loop domains-like P-loop domains-like P-loop domains-like Histone-like	LigPlot
6VVO	Download	Experimental	e6vvoC1 e6vvoC2 e6vvoD2 e6vvoD1 e6vvoD2	P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like	LigPlot