Ligand name: 2-(6-{4-[(2R)-1-hydroxypropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)-6-[(propan-2-yl)oxy]-2,3-dihydro-1H-isoindol-1-one
PDB ligand accession: 8GY
DrugBank: n/a
PubChem: 127053601
ChEMBL: CHEMBL3954836
InChI Key: ATENFOTVOKHAOY-CQSZACIVSA-N
SMILES: CC(C)Oc1ccc2c(c1)C(=O)N(C2)c3cccc(n3)c4nncn4C(C)CO
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
5UOX	Download	Experimental	e5uoxA1 e5uoxB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot