Ligand name: 8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE
PDB ligand accession: H64
DrugBank: DB07877
PubChem: 6914564
ChEMBL: CHEMBL383189
InChI Key: MWGWLDJLENCVRQ-UHFFFAOYSA-N
SMILES: CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3Br)OCO4
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 P02829

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1ZW9	Download	Experimental	e1zw9A1	ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like	LigPlot