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Ligand · 1LI

1LI · N-[(1S,2R)-3-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide

1LI, N-[(1S,2R)-3-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide (C28 H38 F2 N2 O2, 472.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
1LI
Formula
C28 H38 F2 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

1LI in 2 structures; the first of them:

  • 3IVH · Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity… · 1LI A1 · binds LEU91, ASP93, GLY95, SER96, VAL130, PRO131, TYR132, THR133 and 17 more
  • 3IVH · Design and synthesis of potent bace-1 inhibitors with cellular activity… · 1LI A1 · binds LEU91, ASP93, GLY95, SER96, VAL130, PRO131, TYR132, THR133 and 17 more

Residues it binds most

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

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