Ligand name: (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
PDB ligand accession: 0WT
DrugBank: n/a
PubChem: n/a
ChEMBL: CHEMBL2338001
InChI Key: YZRGALHCPBRTES-MSRIBSCDSA-N
SMILES: CCc1c(c2c([nH]1)nc(nc2N3CC4C(C3)C4N)Oc5cncnc5)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Ethers

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
4GEE	Download	Experimental	e4geeA1	ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like	LigPlot