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Ligand · 3S9

3S9 · benzyl (cyanomethyl)carbamate

3S9, benzyl (cyanomethyl)carbamate (C10 H10 N2 O2, 190.2 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 and the ligands found…

Component
3S9
Formula
C10 H10 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

3S9 in 2 structures; the first of them:

  • 4RKX · Identification and characterization of a small molecule inhibitor of S. pyogenes SpeB. · 3S9 A502 · binds GLN162, GLY191, CYS192, VAL193, SER280, GLY281, SER282, ALA283 and 6 more
  • 4RKX · Identification and characterization of a small molecule inhibitor of S. pyogenes speb. · 3S9 A502 · binds GLN162, GLY191, CYS192, VAL193, SER280, GLY281, SER282, ALA283 and 6 more

Residues it binds most

GLY 2, ALA 2, GLN 2, SER 2, VAL 2, CYS 2, HIS 2 (residue and the binding sites it lines).

Found with

  • NO3 · Nitrate ion

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