Ligand name: 2-azanyl-8-[(4-chlorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one
PDB ligand accession: 5RX
DrugBank: n/a
PubChem: 861231;135401802;
ChEMBL: CHEMBL276808
InChI Key: MVZVAYOBERRXEC-UHFFFAOYSA-N
SMILES: c1cc(ccc1CSc2[nH]c3c(n2)C(=O)NC(=N3)N)Cl
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 A0A0H1ZSM1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5ETS	Download	Experimental	e5etsB1 e5etsA1	Alpha-beta plaits Alpha-beta plaits	LigPlot