Ligand name: 2-[(dichloroacetyl)amino]ethyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate
PDB ligand accession: MK5
DrugBank: n/a
PubChem: 25098467
ChEMBL: CHEMBL2165912
InChI Key: JJONTVSMJKRGJO-WDJPJFJCSA-N
SMILES: CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)OCCNC(=O)C(Cl)Cl)O)S(=O)(=O)c2ccc(cc2)OC
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
4DJO	Download	Experimental	e4djoA1 e4djoB1	cradle loop barrel cradle loop barrel	LigPlot