Ligand name: 6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
PDB ligand accession: 19Y
DrugBank: n/a
PubChem: 70699435
ChEMBL: CHEMBL2331853
InChI Key: LEMXQPJEGCAOFY-UHFFFAOYSA-N
SMILES: CCc1c(c2c([nH]1)nc(nc2OC)Sc3cccnc3)C=O
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 Q2A1P5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4HXZ	Download	Experimental	e4hxzA1 e4hxzB1	ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like	LigPlot