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 P43686

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5VFP	Download	Experimental	e5vfpD1 e5vfpD3 e5vfpE2 e5vfpE3	P-loop domains-like Histone-like Histone-like P-loop domains-like	LigPlot
6WJN	Download	Experimental	e6wjnE2 e6wjnE3 e6wjnD2 e6wjnD3	P-loop domains-like Histone-like Histone-like P-loop domains-like	LigPlot
5VFR	Download	Experimental	e5vfrD2 e5vfrD3 e5vfrE1 e5vfrE3	P-loop domains-like Histone-like P-loop domains-like Histone-like	LigPlot
5VFS	Download	Experimental	e5vfsE2 e5vfsE3 e5vfsD1 e5vfsD3	P-loop domains-like Histone-like P-loop domains-like Histone-like	LigPlot
6WJD	Download	Experimental	e6wjdD1 e6wjdD2 e6wjdE2 e6wjdE3	P-loop domains-like Histone-like P-loop domains-like Histone-like	LigPlot
5VFQ	Download	Experimental	e5vfqD2 e5vfqD1 e5vfqD2	P-loop domains-like Histone-like P-loop domains-like	LigPlot