Ligand name: 2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one
PDB ligand accession: 5RW
DrugBank: n/a
PubChem: 861229;135522636;
ChEMBL: CHEMBL3819104
InChI Key: IPIQHVUANDTQPN-UHFFFAOYSA-N
SMILES: c1cc(ccc1CSc2[nH]c3c(n2)N=C(NC3=O)N)F
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
5ETR	Download	Experimental	e5etrB1 e5etrA1	Alpha-beta plaits Alpha-beta plaits	LigPlot