Ligand name: 2-(3-{(2-CHLORO-4-FLUOROPHENYL)[1-(2-CHLOROPHENYL)-6-OXO-1,6-DIHYDROPYRIDAZIN-3-YL]AMINO}PROPYL)-1H-ISOINDOLE-1,3(2H)-DIONE
PDB ligand accession: 222
DrugBank: n/a
PubChem: 11957412
ChEMBL: CHEMBL221595
InChI Key: QGJNGXXVCVFADC-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)C(=O)N(C2=O)CCCN(c3ccc(cc3Cl)F)C4=NN(C(=O)C=C4)c5ccccc5Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic nitrogen compounds
    • Class: Organonitrogen compounds
      • Subclass: Amines

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
2I0H	Download	Experimental	e2i0hA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot