Ligand name: (~{Z})-2-cyano-~{N},~{N}-dimethyl-3-[5-[3-[(1~{S},2~{R})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]prop-2-enamide
PDB ligand accession: 79R
DrugBank: n/a
PubChem: 122197585
ChEMBL: n/a
InChI Key: LVVYJCDRPPCFEQ-YXEVWGHGSA-N
SMILES: CC1CCCCC1n2c3c4cc[nH]c4ncc3nc2c5ccc(o5)C=C(C#N)C(=O)N(C)C
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
5LWN	Download	Experimental	e5lwnA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot