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Ligand · STS

STS · 2-[(1S)-1-benzyl-2-sulfanylethyl]-1H-imidazo[4,5-c]pyridin-5-ium

STS, 2-[(1S)-1-benzyl-2-sulfanylethyl]-1H-imidazo[4,5-c]pyridin-5-ium (C15 H16 N3 S +1, 270.4 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…

Component
STS
Formula
C15 H16 N3 S +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

STS in 2 structures; the first of them:

  • 1Y8J · Crystal Structure of human NEP complexed with an imidazo[4,5-c]pyridine inhibitor · STS A900 · binds ARG102, PHE106, ARG110, ASN542, ALA543, ILE558, PHE563, MET579 and 10 more
  • 1Y8J · Crystal structure of human nep complexed with an IMIDAZO[4,5- C]PYRIDINE inhibitor · STS A900 · binds ARG102, PHE106, ARG110, ASN542, ALA543, ILE558, PHE563, MET579 and 10 more

Residues it binds most

ARG 2, HIS 2, GLU 2, PHE 2, VAL 2, ALA 2, ASN 2, ASP 2, ILE 2, MET 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • ACT · Acetate ion

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