Ligand name: (3R)-3-amino-4-(4-chlorophenyl)-1-[(3R,4S)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
PDB ligand accession: A6M
DrugBank: n/a
PubChem: 118717749
ChEMBL: CHEMBL3344388
InChI Key: ZFSKJGRASNTEBX-DBVUQKKJSA-N
SMILES: c1cc(ccc1CC(CC(=O)N2CC(C(C2)c3ccc(cc3)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
4CYN	Download	Experimental	e4cynA1 e4cynA2	Nat/Ivy Nat/Ivy	LigPlot