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Ligand · 2UD

2UD · 3-(5-bromo-1H-indol-3-yl)-2-thioxopropanoic acid

2UD, 3-(5-bromo-1H-indol-3-yl)-2-thioxopropanoic acid (C11 H8 Br N O2 S, 298.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
2UD
Formula
C11 H8 Br N O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

2UD in 2 structures; the first of them:

  • 4PHM · The Structural Basis of Differential Inhibition of Human Calpain by Indole and Phenyl… · 2UD A301 · binds VAL127, HIS131, LEU134, TRP168, ILE171, LYS172, GLN175, PHE226
  • 4PHM · The structural basis of differential inhibition of human calpain by indole and phenyl… · 2UD A301 · binds VAL127, HIS131, LEU134, TRP168, ILE171, LYS172, GLN175, PHE226

Residues it binds most

GLN 4, HIS 4, ILE 4, LYS 4, PHE 4, TRP 4, VAL 4, LEU 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion

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