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Ligand · WZV

WZV · 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide

WZV, 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide (C20 H20 F3 N5 O3, 435.4 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4…

Component
WZV
Formula
C20 H20 F3 N5 O3
Class
ligand
Structures
8
PDB entries
4

Binding sites

WZV in 8 structures; the first of them:

  • 3ZKI · BACE2 mutant structure with ligand · WZV A1398 · binds GLY27, ARG28, GLY29, TYR30, LEU46, ASP48, GLY50, SER51 and 12 more
  • 3ZKN · BACE2 Fab inhibitor complex · WZV A1398 · binds LEU46, ASP48, GLY50, SER51, TYR87, GLN89, ASN123, PHE124 and 6 more
  • 3ZKS · BACE2 xaperone complex with inhibitor · WZV A1398 · binds GLY29, TYR30, LEU46, ASP48, GLY50, SER51, TYR87, PHE124 and 10 more
  • 3ZOV · Crystal structure of bace-1 in complex with chemical ligand · WZV A1447 · binds SER71, GLY72, GLN73, GLY74, TYR75, LEU91, ASP93, GLY95 and 13 more
  • 3ZKI · BACE2 mutant structure with ligand · WZV A1398 · binds GLY27, ARG28, GLY29, TYR30, LEU46, ASP48, GLY50, SER51 and 12 more
  • 3ZKN · BACE2 Fab inhibitor complex · WZV A1398 · binds LEU46, ASP48, GLY50, SER51, TYR87, GLN89, ASN123, PHE124 and 6 more
  • 3ZKS · BACE2 xaperone complex with inhibitor · WZV A1398 · binds GLY29, TYR30, LEU46, ASP48, GLY50, SER51, TYR87, PHE124 and 10 more
  • 3ZOV · Crystal structure of bace-1 in complex with chemical ligand · WZV A1447 · binds SER71, GLY72, GLN73, GLY74, TYR75, LEU91, ASP93, GLY95 and 13 more

Residues it binds most

GLY 12, ASP 12, THR 12, SER 12, TYR 12, LEU 12, ILE 12, PHE 12, TRP 12, ALA 8 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • NA · Sodium ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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