Ligand name: 8-[(2,4-dimethylphenyl)sulfanyl]-3-pent-4-yn-1-yl-3H-purin-6-amine
PDB ligand accession: P54
DrugBank: n/a
PubChem: 71660552
ChEMBL: CHEMBL4166329
InChI Key: IIQUFGUOGYICIJ-UHFFFAOYSA-N
SMILES: Cc1ccc(c(c1)C)Sc2nc-3c(ncn(c3n2)CCCC#C)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organosulfur compounds
    • Class: Thioethers
      • Subclass: Aryl thioethers

List of PDB structures and/or AlphaFold models with target protein Q2VPJ6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3O0I	Download	Experimental	e3o0iA1	ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like	LigPlot