Ligand · 3VP

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

3VP, (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine (C14 H15 F3 N2 O S, 316.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component: 3VP
Formula: C14 H15 F3 N2 O S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

3VP in 2 structures; the first of them:

4WY6 · Crystal structure of human BACE-1 bound to Compound 36 · 3VP A401 · binds LEU30, ASP32, GLY34, SER35, VAL69, TYR71, PHE108, ILE110 and 6 more
4WY6 · Crystal structure of human bace-1 bound to compound 36 · 3VP A401 · binds LEU30, ASP32, GLY34, SER35, VAL69, TYR71, PHE108, ILE110 and 6 more

Residues it binds most

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

Found with

IOD · Iodide ion
DMS · Dimethyl sulfoxide

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