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Ligand · 5T7

5T7 · (1~{R},2~{R})-2-[(4~{R})-2-azanyl-5,5-bis(fluoranyl)-4-methyl-6~{H}-1,3-oxazin-4-yl]-~{N}-(3-chloranylquinolin-8-yl)cyclopropane-1-carboxamide

5T7, (1~{R},2~{R})-2-[(4~{R})-2-azanyl-5,5-bis(fluoranyl)-4-methyl-6~{H}-1,3-oxazin-4-yl]-~{N}-(3-chloranylquinolin-8-yl)cyclopropane-1-carboxamide (C18 H17 Cl F2 N4 O2, 394.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
5T7
Formula
C18 H17 Cl F2 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

5T7 in 2 structures; the first of them:

  • 5F01 · CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH (1SR,2SR)-2-((R)-2-amino-5,5-difluoro-4-methyl… · 5T7 A504 · binds GLY72, GLN73, GLY74, TYR75, LEU91, ASP93, GLY95, SER96 and 11 more
  • 5F01 · Crystal structure of bace-1 in complex with (1SR,2SR)-2-((R)-2-amino… · 5T7 A504 · binds GLY72, GLN73, GLY74, TYR75, LEU91, ASP93, GLY95, SER96 and 11 more

Residues it binds most

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

Found with

  • NA · Sodium ion
  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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