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 A3WE14

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6EQO	Download	Experimental	e6eqoA4 e6eqoA5 e6eqoA3 e6eqoB7 e6eqoB8	beta-barrel domain in acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like beta-barrel domain in acetyl-CoA synthetase-like proteins	LigPlot