Ligand name: 2-[[6-[3,3-bis(fluoranyl)pyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile
PDB ligand accession: 50D
DrugBank: n/a
PubChem: 72547959
ChEMBL: CHEMBL3393333
InChI Key: RHFIAUKMKYHHFA-UHFFFAOYSA-N
SMILES: c1cnc(cc1C#N)Nc2cc(cc(n2)N3CCC(C3)(F)F)C4CCN(CC4)C5COC5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic nitrogen compounds
    • Class: Organonitrogen compounds
      • Subclass: Amines

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
5CEO	Download	Experimental	e5ceoA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot