Ligand name: [2-({2-[bis(2-phosphonoethyl)amino]ethyl}[2-(6-oxo-3,6-dihydro-9H-purin-9-yl)ethyl]amino)ethyl]phosphonic acid
PDB ligand accession: 3QG
DrugBank: n/a
PubChem: 91757952;135566954;
ChEMBL: CHEMBL3578115
InChI Key: JHLUHXHQASLZGD-UHFFFAOYSA-N
SMILES: c1nc2c(n1CCN(CCN(CCP(=O)(O)O)CCP(=O)(O)O)CCP(=O)(O)O)NC=NC2=O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Imidazopyrimidines
      • Subclass: Purines and purine derivatives

List of PDB structures and/or AlphaFold models with target protein A5U8U8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4RHY	Download	Experimental	e4rhyA1 e4rhyB1 e4rhyC1 e4rhyD1	PRTase-like PRTase-like PRTase-like PRTase-like	LigPlot