Ligand name: 3-[[2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
PDB ligand accession: HWT
DrugBank: n/a
PubChem: 146027019
ChEMBL: CHEMBL4649163
InChI Key: JNFSCEZOWFOZJC-UHFFFAOYSA-N
SMILES: CN(C)CCCN(C)c1nc2ccsc2c(n1)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
6QD9	Download	Experimental	e6qd9A1 e6qd9A2	Nat/Ivy Nat/Ivy	LigPlot