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
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 P49354

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P49354	Download	Predicted	P49354_F1_nD1	Repetitive alpha hairpins
1JCQ		Predicted	e1jcqA1
1LD7		Predicted	e1ld7A1
1LD8		Predicted	e1ld8A1
1MZC		Predicted	e1mzcA1
1S63		Predicted	e1s63A1
1SA4		Predicted	e1sa4A1
1TN6		Predicted	e1tn6A1
2F0Y		Predicted	e2f0yA1
2H6F		Predicted	e2h6fA1
2H6G		Predicted	e2h6gA1
2H6H		Predicted	e2h6hA1
2H6I		Predicted	e2h6iA1
2IEJ		Predicted	e2iejA1
3E37		Predicted	e3e37A1