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Ligand · 3RS

3RS · (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-[(4R)-2,2-dimethyltetrahydro-2H-pyran-4-yl]-2-methylpropanamide

3RS, (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-[(4R)-2,2-dimethyltetrahydro-2H-pyran-4-yl]-2-methylpropanamide (C27 H33 N3 O2, 431.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
3RS
Formula
C27 H33 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

3RS in 2 structures; the first of them:

  • 3RSV · Structure of Bace-1 (Beta-Secretase) in complex with… · 3RS A400 · binds ASP32, GLY34, SER35, VAL69, PRO70, TYR71, GLN73, GLY74 and 14 more
  • 3RSV · Structure of bace-1 (beta-secretase) in complex with (R)-3-(2-amino-6… · 3RS A400 · binds ASP32, GLY34, SER35, VAL69, PRO70, TYR71, GLN73, GLY74 and 14 more

Residues it binds most

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

Found with

  • IOD · Iodide ion
  • GOL · Glycerol

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