Ligand name: 2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one
PDB ligand accession: 8GS
DrugBank: n/a
PubChem: 127053602
ChEMBL: CHEMBL3952214
InChI Key: NDBJFFCSTXBTFV-UHFFFAOYSA-N
SMILES: CC(C)n1cnnc1c2cccc(n2)N3Cc4ccccc4C3=O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Pyridyltriazoles

List of PDB structures and/or AlphaFold models with target protein Q99683

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5UP3	Download	Experimental	e5up3A1 e5up3B1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot