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Ligand · 09G

09G · 3-bromo-4-cyanobenzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate

09G, 3-bromo-4-cyanobenzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate (C20 H16 Br N3 O3, 426.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
09G
Formula
C20 H16 Br N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

09G in 2 structures; the first of them:

  • 3UDY · Crystal Structure of BACE with Compound 11 · 09G A501 · binds LEU30, ASP32, GLY34, SER35, VAL69, PRO70, TYR71, GLN73 and 9 more
  • 3UDY · Crystal structure of bace with compound 11 · 09G A501 · binds LEU30, ASP32, GLY34, SER35, VAL69, PRO70, TYR71, GLN73 and 9 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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