Ligand name: 4-chloro-N-cyclopropyl-3-{[1-(2,6-difluorophenyl)-1H-pyrazolo[3,4-d]pyridazin-4-yl]amino}benzamide
PDB ligand accession: P66
DrugBank: n/a
PubChem: 44631836
ChEMBL: CHEMBL1082158
InChI Key: ZWVCUFJZBBAOFI-UHFFFAOYSA-N
SMILES: c1cc(c(c(c1)F)n2c3cnnc(c3cn2)Nc4cc(ccc4Cl)C(=O)NC5CC5)F
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
3ITZ	Download	Experimental	e3itzA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot