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Ligand · 3VO

3VO · (4aR,8aS)-8a-(2,4-difluorophenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine

3VO, (4aR,8aS)-8a-(2,4-difluorophenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine (C13 H14 F2 N2 O S, 284.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
3VO
Formula
C13 H14 F2 N2 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3VO in 2 structures; the first of them:

  • 4WY1 · Crystal structure of human BACE-1 bound to Compound 24B · 3VO A4000 · binds LEU30, ASP32, GLY34, SER35, TYR71, GLN73, PHE108, ILE110 and 5 more
  • 4WY1 · Crystal structure of human bace-1 bound to compound 24B · 3VO A4000 · binds LEU30, ASP32, GLY34, SER35, TYR71, GLN73, PHE108, ILE110 and 5 more

Residues it binds most

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

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