Ligand name: 4-{[4-(2,6-difluoro-4-methoxybenzene-1-carbonyl)pyrimidin-2-yl]amino}benzonitrile
PDB ligand accession: IB1
DrugBank: n/a
PubChem: 91758320
ChEMBL: CHEMBL3944697
InChI Key: FZZMKUKEMAVUGK-UHFFFAOYSA-N
SMILES: COc1cc(c(c(c1)F)C(=O)c2ccnc(n2)Nc3ccc(cc3)C#N)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Carbonyl compounds

List of PDB structures and/or AlphaFold models with target protein P04585

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5K14	Download	Experimental	e5k14A3 e5k14A4 e5k14B1	Ribonuclease H-like Alpha-beta plaits Alpha-beta plaits	LigPlot