Ligand name: 2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one
PDB ligand accession: 05B
DrugBank: n/a
PubChem: 53326866
ChEMBL: CHEMBL1738702
InChI Key: QSDGMDKMSSYMKU-UHFFFAOYSA-N
SMILES: c1cc2c(cc1c3nccc(n3)c4cc5c([nH]4)C6(CCNCC6)CNC5=O)OCO2
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 Q16644

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3R1N	Download	Experimental	e3r1nA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot