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 Q02750

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8DGT	Download	Experimental	e8dgtA1 e8dgtB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
6Q0J	Download	Experimental	e6q0jC1 e6q0jD1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3EQC	Download	Experimental	e3eqcA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3EQD	Download	Experimental	e3eqdA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
8DGS	Download	Experimental	e8dgsB1 e8dgsA1 e8dgsB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3W8Q	Download	Experimental	e3w8qA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
6Q0T	Download	Experimental	e6q0tC1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot