Ligand name: 4-methyl-N-(3-morpholin-4-ylphenyl)-3-(3-piperidin-4-yl-1,2-benzisoxazol-6-yl)benzamide
PDB ligand accession: 19B
DrugBank: n/a
PubChem: 9983303
ChEMBL: CHEMBL485285
InChI Key: UVUGBBNUQBSROH-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1c2ccc3c(c2)onc3C4CCNCC4)C(=O)Nc5cccc(c5)N6CCOCC6
Drug action: n/a

ClassyFire chemical classification:

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

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
3E93	Download	Experimental	e3e93A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot