Ligand name: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile
PDB ligand accession: T27
DrugBank: DB08864
PubChem: 6451164
ChEMBL: CHEMBL175691
InChI Key: YIBOMRUWOWDFLG-ONEGZZNKSA-N
SMILES: Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)C=CC#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzonitriles

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
3MEG	Download	Experimental	e3megA5 e3megA8 e3megB2	Ribonuclease H-like Alpha-beta plaits Alpha-beta plaits	LigPlot
3MEE	Download	Experimental	e3meeA5 e3meeA8 e3meeB2	Ribonuclease H-like Alpha-beta plaits Alpha-beta plaits	LigPlot