Ligand name: tert-butyl [(2S)-1-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)-3-phenylpropan-2-yl]carbamate
PDB ligand accession: J9K
DrugBank: n/a
PubChem: 91885509
ChEMBL: CHEMBL3814479
InChI Key: MVQZDJDMEHCEJW-FQEVSTJZSA-N
SMILES: CC(C)(C)OC(=O)NC(Cc1ccccc1)CSCCC(=O)NCc2cccnc2
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
4D78	Download	Experimental	e4d78A1	Cytochrome P450	LigPlot