Ligand name: (3R)-1-[5-chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine
PDB ligand accession: 1A0
DrugBank: n/a
PubChem: 70699434
ChEMBL: CHEMBL2331855
InChI Key: WXCUMDKJRMUULE-SNVBAGLBSA-N
SMILES: CCc1c(c2c([nH]1)nc(nc2N3CCC(C3)N)Sc4cc5c(nccn5)nc4)Cl
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 Q839Z1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4HXW	Download	Experimental	e4hxwA1	ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like	LigPlot