Ligand name: (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine
PDB ligand accession: SMY
DrugBank: n/a
PubChem: 46942379
ChEMBL: CHEMBL1235979
InChI Key: JGLUXTFIRPYAQV-WMLDXEAASA-N
SMILES: CC1c2c(ncnc2N3CCN(CC3)C(=O)C(Cc4c[nH]c5c4cccc5)N)CS1
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P05132

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3OW3	Download	Experimental	e3ow3A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot