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Ligand · 81A

81A · 2-methanesulfonyl-benzenesulfonic acid 3-methyl-5-((1-amidinoaminooxymethyl-cyclopropyl)methyloxy)-phenylester

81A, 2-methanesulfonyl-benzenesulfonic acid 3-methyl-5-((1-amidinoaminooxymethyl-cyclopropyl)methyloxy)-phenylester (C20 H25 N3 O7 S2, 483.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
81A
Formula
C20 H25 N3 O7 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

81A in 2 structures; the first of them:

  • 1T4U · Crystal Structure Analysis of a novel Oxyguanidine bound to Thrombin · 81A H4815 · binds HIS79, TYR83, TRP86, GLU130, ASN131, LEU132, ILE209, ASP229 and 15 more
  • 1T4U · Crystal structure analysis of a novel oxyguanidine bound to thrombin · 81A H4815 · binds HIS79, TYR83, TRP86, GLU130, ASN131, LEU132, ILE209, ASP229 and 15 more

Residues it binds most

GLY 2, GLU 2, ASP 2, CYS 2, SER 2, TRP 2, ALA 2, ASN 2, HIS 2, ILE 2 (residue and the binding sites it lines).

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