Ligand name: [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE
PDB ligand accession: PQA
DrugBank: DB08423
PubChem: 5327066
ChEMBL: n/a
InChI Key: QKZZJXRGCHXIAI-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)OC2CCNCC2)C(=O)c3cnn(c3N)c4ccc(cc4)F
Drug action: n/a

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
2BAL	Download	Experimental	e2balA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot