Ligand name: N-[(S)-1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(4-methoxy-piperidin-1-yl)-2-oxo-ethyl]-2-ethyl-3-(3-oxo-morpholin-4-yl)-benzenesulfonamide
PDB ligand accession: VYR
DrugBank: n/a
PubChem: 66911194
ChEMBL: CHEMBL3091505
InChI Key: VOALXMVXTCHJGT-NRFANRHFSA-N
SMILES: CCc1c(cccc1S(=O)(=O)NC(Cc2cc(on2)c3ccc(s3)Cl)C(=O)N4CCC(CC4)OC)N5CCOCC5=O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Oxazinanes
      • Subclass: Morpholines

List of PDB structures and/or AlphaFold models with target protein P00742

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4BTT	Download	Experimental	e4bttB1 e4bttF1	cradle loop barrel cradle loop barrel	LigPlot