Ligand name: 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA
PDB ligand accession: BMU
DrugBank: DB02277
PubChem: 446816
ChEMBL: CHEMBL87277
InChI Key: FWIJKWMXNHRSRO-UHFFFAOYSA-N
SMILES: CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: N-phenylureas

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
3O8P	Download	Experimental	e3o8pA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3OC1	Download	Experimental	e3oc1A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3O8T	Download	Experimental	e3o8tA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
1KV1	Download	Experimental	e1kv1A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3OBJ	Download	Experimental	e3objA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3O8U	Download	Experimental	e3o8uA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot