Ligand name: 2-[(2~{S})-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]-2,3-dihydropyrrol-2-yl]ethanenitrile
PDB ligand accession: HXW
DrugBank: n/a
PubChem: 146035896
ChEMBL: n/a
InChI Key: ZMXVLDNFPUUWQK-HNNXBMFYSA-N
SMILES: CN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N4C=CCC4CC#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
6QDD	Download	Experimental	e6qddA1 e6qddA2	Nat/Ivy Nat/Ivy	LigPlot