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 C3TLS7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8E91	Download	Experimental	e8e91A1 e8e91A2 e8e91B1 e8e91B1 e8e91B2 e8e91C2 e8e91C1 e8e91C2 e8e91D2 e8e91D1 e8e91D2 e8e91E1 e8e91E2	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 P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
8ET3	Download	Experimental	e8et3A1 e8et3A2 e8et3B2 e8et3B1 e8et3B2 e8et3C2 e8et3C1 e8et3C2 e8et3D1 e8et3D1 e8et3D2 e8et3E1 e8et3E2	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 P-loop domains-like Histone-like P-loop domains-like Histone-like	LigPlot