Ligand name: 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
PDB ligand accession: 3NE
DrugBank: n/a
PubChem: 49766627;135566520;
ChEMBL: CHEMBL1230164
InChI Key: YEINPIKXEQEWSU-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)C(F)(F)F)c2c3c([nH]n2)NC(=O)C=C3C(F)(F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Pyrazoles

List of PDB structures and/or AlphaFold models with target protein Q16539

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3NEW	Download	Experimental	e3newA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot