Ligand name: 3-[(4-bromo-2,6-difluorobenzyl)oxy]-5-{[(4-pyrrolidin-1-ylbutyl)carbamoyl]amino}isothiazole-4-carboxamide
PDB ligand accession: BFF
DrugBank: DB12962
PubChem: 9811611
ChEMBL: CHEMBL253969
InChI Key: HXHAJRMTJXHJJZ-UHFFFAOYSA-N
SMILES: c1c(cc(c(c1F)COc2c(c(sn2)NC(=O)NCCCCN3CCCC3)C(=O)N)F)Br
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Thiazoles

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
3L8S	Download	Experimental	e3l8sA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot