Ligand name: N-[(2R)-2-fluoranyl-3-methyl-3-oxidanyl-butyl]-6-[(6-fluoranylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide
PDB ligand accession: EXF
DrugBank: n/a
PubChem: 90155351
ChEMBL: CHEMBL4634922
InChI Key: SNCZIVUNTWOQAF-OAHLLOKOSA-N
SMILES: CC(C)Nc1cc(ncc1C(=O)NCC(C(C)(C)O)F)Nc2c(cn3c(n2)ccn3)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrazolopyrimidines
      • Subclass: Pyrazolo[1,5-a]pyrimidines

List of PDB structures and/or AlphaFold models with target protein Q9NWZ3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6LXY	Download	Experimental	e6lxyA1 e6lxyB1 e6lxyD1 e6lxyE1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot