Ligand name: 4-(7-METHOXY-1-(TRIFLUOROMETHYL)-9H-PYRIDO[3,4-B]INDOL-9-yl)butan-1-amine
PDB ligand accession: AWR
DrugBank: n/a
PubChem: 54613080
ChEMBL: CHEMBL2012574
InChI Key: JVBWXORXTBDUMH-UHFFFAOYSA-N
SMILES: COc1ccc2c3ccnc(c3n(c2c1)CCCCN)C(F)(F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Alkaloids and derivatives
    • Class: Harmala alkaloids
      • Subclass: None

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
5AIK	Download	Experimental	e5aikA1 e5aikB1 e5aikC1 e5aikD1	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