Ligand name: (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate
PDB ligand accession: 031
DrugBank: n/a
PubChem: 5275815
ChEMBL: CHEMBL502946
InChI Key: RPIALZPTIFOQGC-CXLNPQPMSA-N
SMILES: COc1ccc(cc1)S(=O)(=O)N(CC2CCC(=O)N2)CC(C(Cc3ccccc3)NC(=O)OC4CC5CCOC5C4)O
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 P03367

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3VF7	Download	Experimental	e3vf7B1 e3vf7A1	cradle loop barrel cradle loop barrel	LigPlot
3VFB	Download	Experimental	e3vfbB1 e3vfbA1	cradle loop barrel cradle loop barrel	LigPlot
3H5B	Download	Experimental	e3h5bA1 e3h5bB1	cradle loop barrel cradle loop barrel	LigPlot
3VF5	Download	Experimental	e3vf5A1 e3vf5B1	cradle loop barrel cradle loop barrel	LigPlot
4J55	Download	Experimental	e4j55A1	cradle loop barrel	LigPlot