Ligand name: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea
PDB ligand accession: R39
DrugBank: n/a
PubChem: 10972838
ChEMBL: CHEMBL101035
InChI Key: FRZNJFWQVYAVCE-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)OCCN4CCOCC4
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
3HV6	Download	Experimental	e3hv6A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot