Ligand name: 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile
PDB ligand accession: 6KV
DrugBank: n/a
PubChem: 75277375
ChEMBL: CHEMBL4634852
InChI Key: JVWILFYYJUGFPA-UHFFFAOYSA-N
SMILES: CN1CCC(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
4CGO	Download	Experimental	e4cgoA1 e4cgoA2	Nat/Ivy Nat/Ivy	LigPlot