Ligand name: tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
PDB ligand accession: G0V
DrugBank: n/a
PubChem: 137628296
ChEMBL: CHEMBL4644634
InChI Key: WMAJRQYZQMKYGY-KAYWLYCHSA-N
SMILES: CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc2ccccc2)C(=O)NCCc3cccnc3
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P08684

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6DAB	Download	Experimental	e6dabA1	Cytochrome P450	LigPlot