Ligand name: 12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole
PDB ligand accession: 85X
DrugBank: DB17029
PubChem: 3501
ChEMBL: CHEMBL302449
InChI Key: VWVYILCFSYNJHF-UHFFFAOYSA-N
SMILES: Cn1c2ccccc2c3c1c4c(c5ccccc5n4CCC#N)c6c3C(=O)NC6
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Carbazoles

List of PDB structures and/or AlphaFold models with target protein P00533

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5XGM	Download	Experimental	e5xgmA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5XGN	Download	Experimental	e5xgnA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot