Ligand name: 1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea
PDB ligand accession: W2R
DrugBank: n/a
PubChem: 59453176
ChEMBL: CHEMBL2322330
InChI Key: WDGCQQKABPWBPZ-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)Oc2ccc(cc2Cl)Nc3c4c(ccn4CCOCCO)ncn3)NC(=O)NC5CCCCC5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Diphenylethers

List of PDB structures and/or AlphaFold models with target protein P00533

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3W2S	Download	Experimental	e3w2sA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3W2R	Download	Experimental	e3w2rA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot