Ligand name: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
PDB ligand accession: APC
DrugBank: DB02596
PubChem: 91557
ChEMBL: CHEMBL132722
InChI Key: CAWZRIXWFRFUQB-IOSLPCCCSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=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 P40136

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1S26	Download	Experimental	e1s26A4 e1s26A5 e1s26B4 e1s26B6 e1s26C4 e1s26C5	N-terminal a+b domain in adenylylcyclase toxin Insertion domain in adenylylcyclase toxin (the edema factor) Insertion domain in adenylylcyclase toxin (the edema factor) N-terminal a+b domain in adenylylcyclase toxin N-terminal a+b domain in adenylylcyclase toxin Insertion domain in adenylylcyclase toxin (the edema factor)	LigPlot