Ligand name: tert-butyl [(2S)-1-{[(2R)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-(1H-indol-3-yl)propan-2-yl]carbamate
PDB ligand accession: DJ1
DrugBank: n/a
PubChem: 131842081
ChEMBL: n/a
InChI Key: AQDOXNFDADPPBW-IGKIAQTJSA-N
SMILES: CC(C)(C)OC(=O)NC(Cc1c[nH]c2c1cccc2)CSCC(C(=O)NCc3cccnc3)NC4CCCC4

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of proteins that are targets for DJ1

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	P08684_DJ1	P08684	Cytochrome P450 3A4	n/a