Ligand name: 3-[[2-[(1-ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
PDB ligand accession: HXE
DrugBank: n/a
PubChem: 146027022
ChEMBL: CHEMBL4637123
InChI Key: MLPWBUBDJOKZOR-UHFFFAOYSA-N
SMILES: CCN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Thienopyrimidines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q4Q5S8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6QDC	Download	Experimental	e6qdcA1 e6qdcA2	Nat/Ivy Nat/Ivy	LigPlot