Ligand name: 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE
PDB ligand accession: BAX
DrugBank: DB00398
PubChem: 216239
ChEMBL: CHEMBL1336
InChI Key: MLDQJTXFUGDVEO-UHFFFAOYSA-N
SMILES: CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
Drug action: n/a

ClassyFire chemical classification:

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

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
3HEG	Download	Experimental	e3hegA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3GCS	Download	Experimental	e3gcsA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot