Ligand name: 3,5-dimethyl-4-{[2-({1-[4-(methylsulfonyl)benzyl]piperidin-4-yl}amino)pyrimidin-4-yl]oxy}benzonitrile
PDB ligand accession: DJZ
DrugBank: n/a
PubChem: 24959494
ChEMBL: CHEMBL1169811
InChI Key: LPBHCIIMBZNWQE-UHFFFAOYSA-N
SMILES: Cc1cc(cc(c1Oc2ccnc(n2)NC3CCN(CC3)Cc4ccc(cc4)S(=O)(=O)C)C)C#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Piperidines
      • Subclass: Benzylpiperidines

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
3M8Q	Download	Experimental	e3m8qA5 e3m8qA8 e3m8qB2	Ribonuclease H-like Alpha-beta plaits Alpha-beta plaits	LigPlot