Ligand name: N-[3-[[6-[[3-(trifluoromethyl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
PDB ligand accession: 7PL
DrugBank: n/a
PubChem: 9549299
ChEMBL: CHEMBL387187
InChI Key: YOHYSYJDKVYCJI-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)Nc2cc(ncn2)Nc3cccc(c3)NC(=O)C4CC4)C(F)(F)F
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P81947

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7VMK	Download	Experimental	e7vmkA1 e7vmkA2 e7vmkB1 e7vmkB2	Rossmann-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like	LigPlot