Ligand name: 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine
PDB ligand accession: I46
DrugBank: DB07942
PubChem: 42647299
ChEMBL: n/a
InChI Key: YJCHZVXSPFPKMX-UHFFFAOYSA-N
SMILES: c1cc(ccc1c2c[nH]nc2c3ccnc(c3)F)F
Drug action: n/a

ClassyFire chemical classification:

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

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
2YIW	Download	Experimental	e2yiwA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
2YIS	Download	Experimental	e2yisA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3HLL	Download	Experimental	e3hllA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3HP5	Download	Experimental	e3hp5A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3HL7	Download	Experimental	e3hl7A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
6QE1	Download	Experimental	e6qe1A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3HP2	Download	Experimental	e3hp2A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3K3I	Download	Experimental	e3k3iA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3K3J	Download	Experimental	e3k3jA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
6QDZ	Download	Experimental	e6qdzA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot