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Ligand · LIQ

LIQ · N-{(1S)-2-({(1S,2R)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}amino)-2-oxo-1-[(pentylsulfonyl)methyl]ethyl}nicotinamide

LIQ, N-{(1S)-2-({(1S,2R)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}amino)-2-oxo-1-[(pentylsulfonyl)methyl]ethyl}nicotinamide (C33 H42 F2 N4 O5 S, 644.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
LIQ
Formula
C33 H42 F2 N4 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

LIQ in 2 structures; the first of them:

  • 2HM1 · Crystal Structure of human beta-secretase (BACE) in the presence of an inhibitor (2) · LIQ A801 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 18 more
  • 2HM1 · Crystal structure of human beta-secretase (bace) in the presence of an inhibitor (2) · LIQ A801 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 18 more

Residues it binds most

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

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