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Ligand · 508

508 · (1R,4'S)-3,4-dihydro-2H-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone

508, (1R,4'S)-3,4-dihydro-2H-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone (C31 H34 N2 O, 450.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
508
Formula
C31 H34 N2 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

508 in 2 structures; the first of them:

  • 3UFL · Discovery of Pyrrolidine-based b-Secretase Inhibitors: Lead Advancement through… · 508 A449 · binds LEU30, ASP32, GLY34, SER35, VAL69, PRO70, TYR71, GLN73 and 14 more
  • 3UFL · Discovery of pyrrolidine-based B-secretase inhibitors: lead advancement through… · 508 A449 · binds LEU30, ASP32, GLY34, SER35, VAL69, PRO70, TYR71, GLN73 and 14 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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