Ligand name: 1-{4-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea
PDB ligand accession: R49
DrugBank: n/a
PubChem: 44462686
ChEMBL: CHEMBL570904
InChI Key: MKHUGLZLKVCOGF-UHFFFAOYSA-N
SMILES: Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)Nc4ccnc5c4cc(cc5)N
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
3HV3	Download	Experimental	e3hv3A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot