Ligand name: PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
PDB ligand accession: A12
DrugBank: DB03148
PubChem: 92199
ChEMBL: CHEMBL583969
InChI Key: OLCWZBFDIYXLAA-IOSLPCCCSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(CP(=O)(O)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 P43490

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3DGR	Download	Experimental	e3dgrA1 e3dgrB1 e3dgrB2 e3dgrA1 e3dgrA2 e3dgrB1	TIM beta/alpha-barrel TIM beta/alpha-barrel alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel	LigPlot
8DSH	Download	Experimental	e8dshA2 e8dshB2 e8dshA1 e8dshA2 e8dshB3	TIM beta/alpha-barrel alpha/beta-Hammerhead/Barrel-sandwich hybrid alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot