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Ligand · A1AVR

A1AVR · 1-[3-(aminomethyl)phenyl]-2-sulfanylethan-1-one

A1AVR, 1-[3-(aminomethyl)phenyl]-2-sulfanylethan-1-one (C9 H11 N O S, 181.3 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, the residues it binds most and…

Component
A1AVR
Formula
C9 H11 N O S
Class
ligand
Structures
1
PDB entries
1

Binding sites

A1AVR in 1 structure; the first of them:

  • 9CBF · Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with m-Aminomethyl… · A1AVR A704 · binds GLU24, ILE27, ALA94, HIS136, HIS137, GLY145, PHE146, ASP174 and 6 more

Residues it binds most

HIS 1, ASP 1, GLU 1, GLY 1, ALA 1, ILE 1, PHE 1, TRP 1, TYR 1 (residue and the binding sites it lines).

Found with

  • K · Potassium ion
  • ZN · Zinc ion
  • PO4 · Phosphate ion
  • EDO · 1,2-ethanediol

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