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Ligand · S47

S47 · (3S,4S)-pyrrolidine-3,4-diyl bis(naphthalen-1-ylacetate)

S47, (3S,4S)-pyrrolidine-3,4-diyl bis(naphthalen-1-ylacetate) (C28 H25 N O4, 439.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
S47
Formula
C28 H25 N O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

S47 in 2 structures; the first of them:

  • 3Q6Y · Endothiapepsin in complex with a pyrrolidine based inhibitor · S47 A5001 · binds ASP33, ASP35, GLY37, SER38, LEU125, PHE194, ILE217, ASP219 and 5 more
  • 3Q6Y · Endothiapepsin in complex with a pyrrolidine based inhibitor · S47 A5001 · binds ASP33, ASP35, GLY37, SER38, LEU125, PHE194, ILE217, ASP219 and 5 more

Residues it binds most

ILE 2, ASP 2, GLY 2, LEU 2, PHE 2, SER 2, THR 2 (residue and the binding sites it lines).

Found with

  • 1PE · Pentaethylene glycol
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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