Ligand name: SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE
PDB ligand accession: 128
DrugBank: DB02524
PubChem: 644358
ChEMBL: n/a
InChI Key: XFMMHXLUHKBKQE-UHEGPQQHSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C4C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC5(O4)C(=CC(=[N+](O)[O-])C=C5[N+](=O)[O-])[N+](=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 P04191

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6YAA	Download	Experimental	e6yaaA2 e6yaaA3 e6yaaA4	HAD domain-related Metal cation-transporting ATPase, ATP-binding domain jelly-roll	LigPlot
5NCQ	Download	Experimental	e5ncqA2 e5ncqA3	HAD domain-related Metal cation-transporting ATPase, ATP-binding domain	LigPlot
5A3S	Download	Experimental	e5a3sA1 e5a3sA2 e5a3sA4 e5a3sB2 e5a3sB3 e5a3sB4	Metal cation-transporting ATPase, ATP-binding domain jelly-roll HAD domain-related HAD domain-related Metal cation-transporting ATPase, ATP-binding domain jelly-roll	LigPlot
6YSO	Download	Experimental	e6ysoA1 e6ysoA3 e6ysoA4 e6ysoB1 e6ysoB2 e6ysoB4	HAD domain-related Metal cation-transporting ATPase, ATP-binding domain jelly-roll HAD domain-related jelly-roll Metal cation-transporting ATPase, ATP-binding domain	LigPlot
3AR7	Download	Experimental	e3ar7A7 e3ar7A4 e3ar7A5	jelly-roll Metal cation-transporting ATPase, ATP-binding domain HAD domain-related	LigPlot