Ligand name: tert-butyl 4-{(11S)-8-chloro-6-[(R)-hydroxy(1-methyl-1H-imidazol-5-yl)methyl]-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl}piperazine-1-carboxylate
PDB ligand accession: Z96
DrugBank: n/a
PubChem: 44593866
ChEMBL: CHEMBL601202
InChI Key: YZFYPECRJZGSGJ-IZZNHLLZSA-N
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2c3ccc(cc3C(=Cc4c2nccc4)C(c5cncn5C)O)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 Q5RKJ4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3KSQ	Download	Experimental	e3ksqA1 e3ksqB1	Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot