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 A0A8J0PCL3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7M99	Download	Experimental	e7m99A1 e7m99B1 e7m99B2 e7m99B1 e7m99C1 e7m99C2 e7m99C1 e7m99D1 e7m99D2 e7m99D1 e7m99E1 e7m99E2 e7m99E1 e7m99E2 e7m99F1 e7m99F2 e7m99F1 e7m99G1 e7m99G2 e7m99G1 e7m99H1 e7m99H2	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-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 P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like	LigPlot