Ligand name: 3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile
PDB ligand accession: F48
DrugBank: n/a
PubChem: 134611728
ChEMBL: CHEMBL4127590
InChI Key: PLKGAHIHTTYWEV-UHFFFAOYSA-N
SMILES: c1cc(oc1CCC#N)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4
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 P52333

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6GLB	Download	Experimental	e6glbA1 e6glbB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot