Ligand name: 1-tert-butyl-3-{(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea
PDB ligand accession: 23K
DrugBank: n/a
PubChem: 73386660
ChEMBL: n/a
InChI Key: VQJKWPDMRXMXDB-OEMFJLHTSA-N
SMILES: CC(C)C1Cc2cc(ccc2S(=O)(=O)N(C1)CC(C(Cc3ccccc3)NC(=O)NC(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
4MC6	Download	Experimental	e4mc6A1 e4mc6B1	cradle loop barrel cradle loop barrel	LigPlot