Ligand name: (11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE
PDB ligand accession: 736
DrugBank: DB07216
PubChem: 9547909
ChEMBL: CHEMBL372164
InChI Key: ZMGCFGGMTCMSDP-QHCPKHFHSA-N
SMILES: CS(=O)(=O)N1CCC(CC1)C2c3ccc(cc3C(=Cc4c2nccc4)N5CCNCC5)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzocycloheptapyridines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q04631

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2BED	Download	Experimental	e2bedB1 e2bedA1	Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot