Ligand name: 4-{[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]methyl}benzonitrile
PDB ligand accession: YH2
DrugBank: n/a
PubChem: 861232;135468747;
ChEMBL: CHEMBL3233202
InChI Key: GWZOSZRSFBULCC-UHFFFAOYSA-N
SMILES: c1cc(ccc1CSc2[nH]c3c(n2)C(=O)NC(=N3)N)C#N
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
5ETQ	Download	Experimental	e5etqA1 e5etqB1 e5etqB1	Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits	LigPlot