Ligand name: 4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile
PDB ligand accession: 4K0
DrugBank: n/a
PubChem: 70677398
ChEMBL: CHEMBL2170968
InChI Key: JJWKCZCBEYPJAJ-UHFFFAOYSA-N
SMILES: c1cc2c(c[nH]c2nc1)Cc3nnc4n3nc(cn4)c5ccc(cc5)C#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolopyridines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P08581

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4AOI	Download	Experimental	e4aoiA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot