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Ligand · ZRD

ZRD · (4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(1,2-thiazol-5-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine

ZRD, (4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(1,2-thiazol-5-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine (C13 H13 F N6 S2, 336.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
ZRD
Formula
C13 H13 F N6 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

ZRD in 2 structures; the first of them:

  • 7MYR · BACE-1 in complex with compound #18 · ZRD A401 · binds LEU30, ASP32, GLY34, SER35, VAL69, TYR71, PHE108, TRP115 and 6 more
  • 7MYR · Bace-1 in complex with compound #18 · ZRD A401 · binds LEU30, ASP32, GLY34, SER35, VAL69, TYR71, PHE108, TRP115 and 6 more

Residues it binds most

ASP 4, GLY 4, ILE 4, ARG 4, LEU 4, PHE 4, SER 4, THR 4, TRP 4, TYR 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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