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Ligand · A1A3R

A1A3R · (2S,5R)-4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]-2,5-dimethylmorpholine

A1A3R, (2S,5R)-4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]-2,5-dimethylmorpholine (C9 H14 Cl N3 O S, 247.8 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
A1A3R
Formula
C9 H14 Cl N3 O S
Class
ligand
Structures
1
PDB entries
1

Binding sites

A1A3R in 1 structure; the first of them:

  • 7HGT · PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex… · A1A3R B103 · binds ASP30, GLY31, MET15, TYR18, TRP21, PHE44, THR47, GLU49 and 2 more

Residues it binds most

THR 2, ALA 2, GLU 2, MET 2, PHE 2, TRP 2, TYR 2, ASP 1, GLY 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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