Ligand name: tert-butyl [(2S)-1-(1H-indol-3-yl)-3-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)propan-2-yl]carbamate
PDB ligand accession: PKT
DrugBank: n/a
PubChem: 91885510
ChEMBL: CHEMBL3814877
InChI Key: KSORMZFPXQKUAB-FQEVSTJZSA-N
SMILES: CC(C)(C)OC(=O)NC(Cc1c[nH]c2c1cccc2)CSCCC(=O)NCc3cccnc3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Indoles

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
4D7D	Download	Experimental	e4d7dA1	Cytochrome P450	LigPlot