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Ligand · 09F

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

09F, 1-cyanocyclohexyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate (C19 H21 N3 O3, 339.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
09F
Formula
C19 H21 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

09F in 2 structures; the first of them:

  • 3UDR · Crystal Structure of BACE with Compound 14 · 09F A501 · binds LEU30, ASP32, GLY34, SER35, TYR71, THR72, GLN73, PHE108 and 11 more
  • 3UDR · Crystal structure of bace with compound 14 · 09F A501 · binds LEU30, ASP32, GLY34, SER35, TYR71, THR72, GLN73, PHE108 and 11 more

Residues it binds most

THR 2, ASP 2, GLY 2, ILE 2, TYR 2, ARG 2, GLN 2, LEU 2, LYS 2, PHE 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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