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Ligand · 0GS

0GS · (3S,4S,5R)-3-(4-amino-3-bromo-5-fluorobenzyl)-5-{[3-(1,1-difluoroethyl)benzyl]amino}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide

0GS, (3S,4S,5R)-3-(4-amino-3-bromo-5-fluorobenzyl)-5-{[3-(1,1-difluoroethyl)benzyl]amino}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide (C21 H24 Br F3 N2 O3 S, 521.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
0GS
Formula
C21 H24 Br F3 N2 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

0GS in 2 structures; the first of them:

  • 3VF3 · Crystal Structure of Human Beta Secretase in Complex with NVP-BQQ711 · 0GS A401 · binds GLN12, LEU30, ASP32, GLY34, SER35, VAL69, PRO70, TYR71 and 15 more
  • 3VF3 · Crystal structure of human beta secretase in complex with nvp-BQQ711 · 0GS A401 · binds GLN12, LEU30, ASP32, GLY34, SER35, VAL69, PRO70, TYR71 and 15 more

Residues it binds most

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

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