Ligand name: PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
PDB ligand accession: ACP
DrugBank: DB03909
PubChem: 91532
ChEMBL: CHEMBL133463
InChI Key: UFZTZBNSLXELAL-IOSLPCCCSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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 Q9H477

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6WK0	Download	Experimental	e6wk0A1 e6wk0B1 e6wk0C1 e6wk0D1 e6wk0D1	Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot
5C3Z	Download	Experimental	e5c3zA1 e5c3zB1	Rossmann-like Rossmann-like	LigPlot
5C41	Download	Experimental	e5c41A1 e5c41B1 e5c41C1 e5c41D1 e5c41D1	Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot
5C40	Download	Experimental	e5c40A1 e5c40B1	Rossmann-like Rossmann-like	LigPlot