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 A0A0H2ZMB9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6LT4	Download	Experimental	e6lt4A2 e6lt4A4 e6lt4B2 e6lt4B3 e6lt4B2 e6lt4C2 e6lt4C3 e6lt4D2 e6lt4D4 e6lt4D2 e6lt4E1 e6lt4E2 e6lt4F1 e6lt4F3 e6lt4G1 e6lt4G3 e6lt4H2 e6lt4H4 e6lt4I1 e6lt4I3 e6lt4J1 e6lt4J4 e6lt4K1 e6lt4K4 e6lt4L2 e6lt4L4 e6lt4M1 e6lt4M3 e6lt4N1 e6lt4N3	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 Histone-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 Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like Histone-like P-loop domains-like P-loop domains-like Histone-like	LigPlot