Ligand name: N-{2-chloro-5-[(3S,4R)-1-[(3R)-4-(4-chlorophenyl)-3-hydroxybutanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]phenyl}-2-(4-fluorophenyl)acetamide
PDB ligand accession: YAU
DrugBank: n/a
PubChem: 119057260
ChEMBL: n/a
InChI Key: LMARVLAZWJAMGJ-NQHRYMMQSA-N
SMILES: c1cc(ccc1CC(CC(=O)N2CC(C(C2)c3ccc(c(c3)NC(=O)Cc4ccc(cc4)F)Cl)CO)O)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
4CYQ	Download	Experimental	e4cyqA1 e4cyqA2	Nat/Ivy Nat/Ivy	LigPlot