Ligand name: 4-[(2-azanyl-6-oxidanylidene-1,9-dihydropurin-8-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile
PDB ligand accession: 5RY
DrugBank: n/a
PubChem: 118988416;135567099;
ChEMBL: CHEMBL3819281
InChI Key: GEUVDHJEINQZML-UHFFFAOYSA-N
SMILES: c1cc(c(cc1C#N)F)CSc2[nH]c3c(n2)C(=O)NC(=N3)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
5ETT	Download	Experimental	e5ettB1 e5ettA1	Alpha-beta plaits Alpha-beta plaits	LigPlot