Ligand name: 3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile
PDB ligand accession: HWQ
DrugBank: n/a
PubChem: 146027021
ChEMBL: CHEMBL4638689
InChI Key: ZZVMFUZVPCVUGH-UHFFFAOYSA-N
SMILES: CN(CCC#N)c1c2c(ccs2)nc(n1)N(C)C3CCNCC3
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
6QDB	Download	Experimental	e6qdbA1 e6qdbA2	Nat/Ivy Nat/Ivy	LigPlot