Ligand name: 6-{(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-(2-methoxyethoxy)quinoline
PDB ligand accession: 44X
DrugBank: n/a
PubChem: 118732962
ChEMBL: CHEMBL3414926
InChI Key: SCRRRLBPWUHHER-HNNXBMFYSA-N
SMILES: Cc1cc(on1)c2cc(c3nnc(n3c2)C(C)c4ccc5c(c4)cc(cn5)OCCOC)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P08581

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4XYF	Download	Experimental	e4xyfA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot