Ligand name: (1-chloro-7-methoxy-9H-beta-carbolin-9-yl)acetonitrile
PDB ligand accession: 4H5
DrugBank: n/a
PubChem: 91664024
ChEMBL: CHEMBL4283240
InChI Key: BKIAHCJPMJSHSQ-UHFFFAOYSA-N
SMILES: COc1ccc2c3ccnc(c3n(c2c1)CC#N)Cl
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q13627

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4YU2	Download	Experimental	e4yu2A1 e4yu2B1 e4yu2D1 e4yu2C1 e4yu2D1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot