Ligand name: 5-[2-(cyclohexylamino)pyridin-4-yl]-4-naphthalen-2-yl-2-(tetrahydro-2H-pyran-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
PDB ligand accession: 589
DrugBank: n/a
PubChem: 50941538
ChEMBL: CHEMBL1644639
InChI Key: YZJYYYWPZRYBLV-UHFFFAOYSA-N
SMILES: c1ccc2cc(ccc2c1)N3C(=NN(C3=O)C4CCOCC4)c5ccnc(c5)NC6CCCCC6
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Triazoles

List of PDB structures and/or AlphaFold models with target protein P53779

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3OY1	Download	Experimental	e3oy1A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot