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

ClassyFire chemical classification:

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

List of proteins that are targets for J9K

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	P08684_J9K	P08684	Cytochrome P450 3A4	n/a