Ligand name: 4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane
PDB ligand accession: B43
DrugBank: n/a
PubChem: 6603792
ChEMBL: CHEMBL47940
InChI Key: FMETVQKSDIOGPX-UHFFFAOYSA-N
SMILES: c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5
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 Q9BJF5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4IH8	Download	Experimental	e4ih8A2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot