Ligand name: 3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol
PDB ligand accession: 1FR
DrugBank: DB06897
PubChem: 24941248
ChEMBL: CHEMBL490814
InChI Key: MMGKIHLBFPJYJL-HNNXBMFYSA-N
SMILES: CC(c1ccccc1)Nc2cc3c(cn2)onc3c4cc(cc(c4)Cl)CCCO
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoxazolopyridines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q4KMI8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3DB8	Download	Experimental	e3db8A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot