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 P81947

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7OGN	Download	Experimental	e7ognA2 e7ognF1	Bacillus chorismate mutase-like Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5S66	Download	Experimental	e5s66A1 e5s66F1	Bacillus chorismate mutase-like Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4I55	Download	Experimental	e4i55A3 e4i55F1	Bacillus chorismate mutase-like Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5LXT	Download	Experimental	e5lxtA1 e5lxtA2 e5lxtF1	Bacillus chorismate mutase-like Rossmann-like Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4I4T	Download	Experimental	e4i4tF3 e4i4tA3	Protein kinase/SAICAR synthase/ATP-grasp Bacillus chorismate mutase-like	LigPlot
6FJF	Download	Experimental	e6fjfA1 e6fjfF1	Bacillus chorismate mutase-like Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
8BDF	Download	Experimental	e8bdfA2 e8bdfF1	Bacillus chorismate mutase-like Protein kinase/SAICAR synthase/ATP-grasp	LigPlot