Ligand name: 1-({7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)-1H-pyrrole-2,5-dione
PDB ligand accession: R44
DrugBank: n/a
PubChem: 146672986
ChEMBL: CHEMBL4640002
InChI Key: HDYYKIHPDVFOOZ-HXUWFJFHSA-N
SMILES: c1cnc2cc(sc2c1c3cc(cc4c3OC(C4)C(=O)N5CCNCC5)Cl)CN6C(=O)CCC6=O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Phenylpyridines

List of PDB structures and/or AlphaFold models with target protein Q93009

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6VN2	Download	Experimental	e6vn2A1 e6vn2B1	Cysteine proteinases-like Cysteine proteinases-like	LigPlot