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Ligand · 09A

09A · benzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate

09A, benzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate (C19 H18 N2 O3, 322.4 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…

Component
09A
Formula
C19 H18 N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

09A in 2 structures; the first of them:

  • 3UDM · Crystal Structure of BACE with Compound 8 · 09A A501 · binds LEU30, ASP32, GLY34, SER35, PRO70, TYR71, GLN73, PHE108 and 8 more
  • 3UDM · Crystal structure of bace with compound 8 · 09A A501 · binds LEU30, ASP32, GLY34, SER35, PRO70, TYR71, GLN73, PHE108 and 8 more

Residues it binds most

ASP 2, GLY 2, ILE 2, TYR 2, ARG 2, GLN 2, LEU 2, PHE 2, PRO 2, SER 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether

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