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Ligand · A1IBD

A1IBD · ~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide

A1IBD, ~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide (C10 H16 N2 O2 S, 228.3 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…

Component
A1IBD
Formula
C10 H16 N2 O2 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

A1IBD in 1 structure; the first of them:

  • 9FAD · Gcase in complex with small molecule inhibitor 1 · A1IBD A605 · binds HIS404, ILE407, THR408, LEU411, TYR412, ASN481, ASP482, LEU483 and 2 more

Residues it binds most

ASP 1, LEU 1, ALA 1, ASN 1, HIS 1, ILE 1, THR 1, TYR 1 (residue and the binding sites it lines).

Found with

  • K · Potassium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion

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