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Ligand · 440

440 · 3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol

440, 3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol (C13 H16 O3 S2, 284.4 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…

Component
440
Formula
C13 H16 O3 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

440 in 2 structures; the first of them:

  • 3B92 · Novel thio-based TACE inhibitors Part 2: Rational design, synthesis and SAR of… · 440 A501 · binds GLY346, THR347, LEU348, GLY349, LEU350, GLU398, LEU401, VAL402 and 10 more
  • 3B92 · Novel thio-based tace inhibitors part 2: rational design, synthesis and sar of… · 440 A501 · binds GLY346, THR347, LEU348, GLY349, LEU350, GLU398, LEU401, VAL402 and 10 more

Residues it binds most

HIS 2, LEU 2, VAL 2, GLU 2, GLY 2, ALA 2, ILE 2, PRO 2, THR 2, TYR 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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