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Ligand · 095

095 · tetrahydro-2H-pyran-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate

095, tetrahydro-2H-pyran-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate (C17 H20 N2 O4, 316.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
095
Formula
C17 H20 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

095 in 2 structures; the first of them:

  • 3UDK · Crystal Structure of BACE with Compound 6 · 095 A501 · binds LEU30, ASP32, GLY34, SER35, TYR71, GLN73, PHE108, TRP115 and 7 more
  • 3UDK · Crystal structure of bace with compound 6 · 095 A501 · binds LEU30, ASP32, GLY34, SER35, TYR71, GLN73, PHE108, TRP115 and 7 more

Residues it binds most

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