Ligand name: N-{5-[(3S,4R)-1-[(3R)-3-amino-4-(4-chlorophenyl)butanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-chlorophenyl}-2-(4-fluorophenyl)acetamide
PDB ligand accession: UEK
DrugBank: n/a
PubChem: 102341126
ChEMBL: CHEMBL3357975
InChI Key: UXESSWKATFQQDS-NQHRYMMQSA-N
SMILES: c1cc(ccc1CC(CC(=O)N2CC(C(C2)c3ccc(c(c3)NC(=O)Cc4ccc(cc4)F)Cl)CO)N)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolidines
      • Subclass: Phenylpyrrolidines

List of PDB structures and/or AlphaFold models with target protein Q4Q5S8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4CYO	Download	Experimental	e4cyoA1 e4cyoA2	Nat/Ivy Nat/Ivy	LigPlot