Ligand name: tert-butyl {(2S,3R)-4-[(4S)-7-fluoro-4-methyl-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
PDB ligand accession: 9Y9
DrugBank: n/a
PubChem: 52935091
ChEMBL: CHEMBL1835923
InChI Key: KMJVCYPPUACVBA-BULFRSBZSA-N
SMILES: CC1Cc2cc(ccc2S(=O)(=O)N(C1)CC(C(Cc3ccccc3)NC(=O)OC(C)(C)C)O)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Phenylbutylamines

List of PDB structures and/or AlphaFold models with target protein P0C6F2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3TH9	Download	Experimental	e3th9A1 e3th9B1	cradle loop barrel cradle loop barrel	LigPlot