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Ligand · 5GR

5GR · N-(5-{3-[(1-benzyl-1H-1,2,3-triazol-4-yl)methoxy]benzyl}-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide

5GR, N-(5-{3-[(1-benzyl-1H-1,2,3-triazol-4-yl)methoxy]benzyl}-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide (C28 H27 N7 O2 S2, 557.7 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry).…

Component
5GR
Formula
C28 H27 N7 O2 S2
Class
ligand
Structures
1
PDB entries
1

Binding sites

5GR in 1 structure; the first of them:

  • 5DY5 · Crystal structure of human Sirt2 in complex with a SirReal probe fragment · 5GR A402 · binds ILE93, PHE96, ARG97, ILE118, PHE119, PHE131, ALA135, LEU138 and 12 more

Residues it binds most

PHE 1, ILE 1, VAL 1, ALA 1, ARG 1, ASP 1, HIS 1, LEU 1, PRO 1, TYR 1 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • BU3 · (R,R)-2,3-butanediol
  • EDO · 1,2-ethanediol
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid

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