Ligand name: [(2S)-5-oxopyrrolidin-2-yl]methyl [(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
PDB ligand accession: 0KJ
DrugBank: n/a
PubChem: 57411978
ChEMBL: CHEMBL2165903
InChI Key: CNYNOTFCYHOHBF-DFFQVNEFSA-N
SMILES: CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)OCC2CCC(=O)N2)O)S(=O)(=O)c3ccc4c(c3)scn4
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q90K99

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4DJR	Download	Experimental	e4djrA1 e4djrB1	cradle loop barrel cradle loop barrel	LigPlot