Ligand name: 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one
PDB ligand accession: 52P
DrugBank: DB07138
PubChem: 3038525
ChEMBL: CHEMBL119385
InChI Key: VEPKQEUBKLEPRA-UHFFFAOYSA-N
SMILES: c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organosulfur compounds
    • Class: Thioethers
      • Subclass: Aryl thioethers

List of proteins that are targets for 52P

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	Q16539_52P	Q16539	inhibitor	Ki(nM) = 0.8 IC50(nM) = 9.0 Kd(nM) = 2.8