Ligand name: 1,5-anhydro-2-{[5-(2-chloro-4-phenoxybenzene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2,3,4-trideoxy-D-erythro-hexitol
PDB ligand accession: HRA
DrugBank: DB18866
PubChem: 129045720
ChEMBL: CHEMBL4756476
InChI Key: JSFCZQSJQXFJDS-QAPCUYQASA-N
SMILES: c1ccc(cc1)Oc2ccc(c(c2)Cl)C(=O)c3c[nH]c4c3c(ncn4)NC5CCC(OC5)CO
Drug action: inhibitor

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 Q06187

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6E4F	Download	Experimental	e6e4fA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot