Ligand name: 2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate
PDB ligand accession: TKS
DrugBank: n/a
PubChem: 154700578
ChEMBL: n/a
InChI Key: MEDRHFREPGGTSN-OPQSODGTSA-N
SMILES: CC(C)(COC(=O)NC(CC1CCCCC1)C(=O)NC(CC2CCNC2=O)C(O)S)c3cccc(c3)Cl
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q83883

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6W5J	Download	Experimental	e6w5jA1 e6w5jB1	cradle loop barrel cradle loop barrel	LigPlot