Ligand name: N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide
PDB ligand accession: 03P
DrugBank: n/a
PubChem: 11620908
ChEMBL: CHEMBL1614725
InChI Key: ZYQXEVJIFYIBHZ-UHFFFAOYSA-N
SMILES: CC(C)(CC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)O
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
3POZ	Download	Experimental	e3pozA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3W2O	Download	Experimental	e3w2oA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot