Ligand name: 5-{5-[(1R,5S,6r)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine
PDB ligand accession: 9FS
DrugBank: n/a
PubChem: n/a
ChEMBL: CHEMBL3717481
InChI Key: POFXJLUVZXIDTP-UOIKSKOESA-N
SMILES: CC(C)n1c(cc(n1)c2cc(c(nc2)N)C(F)(F)F)C3C4C3CN(C4)C5COC5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Pyrazolylpyridines

List of PDB structures and/or AlphaFold models with target protein Q12852

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5VO1	Download	Experimental	e5vo1A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot