Ligand name: tert-butyl [(2S)-1-{[(2R)-2-benzyl-3-oxo-3-{[3-(pyridin-3-yl)propyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate
PDB ligand accession: X71
DrugBank: n/a
PubChem: 155295780
ChEMBL: n/a
InChI Key: BNWPKAULGXNAGV-VMPREFPWSA-N
SMILES: CC(C)(C)OC(=O)NC(Cc1ccccc1)CSCC(Cc2ccccc2)C(=O)NCCCc3cccnc3
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
7KVM	Download	Experimental	e7kvmA1	Cytochrome P450	LigPlot