Ligand name: 2-{4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]piperidin-1-yl}-2-oxoethanol
PDB ligand accession: I47
DrugBank: DB07943
PubChem: 9865587
ChEMBL: CHEMBL1090173
InChI Key: CATQHDWESBRRQA-UHFFFAOYSA-N
SMILES: c1cc(ccc1c2c(c(n[nH]2)C3CCN(CC3)C(=O)CO)c4ccncn4)Cl
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
3HL7	Download	Experimental	e3hl7A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot