Ligand name: [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE
PDB ligand accession: PQB
DrugBank: DB08424
PubChem: 5327067
ChEMBL: CHEMBL203567
InChI Key: IJDQETGUEUJVTB-HNNXBMFYSA-N
SMILES: c1cc(cc(c1)OCC(CO)O)C(=O)c2cnn(c2N)c3ccc(cc3)F
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoyl derivatives

List of drug binding-associated PTMs

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
2BAQ	Download	Experimental	e2baqA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
2GFS	Download	Experimental	e2gfsA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot