PDBsum entry 5lgo

Hydrolase

PDB id: 5lgo

Contents

Protein chain

223 a.a.

Ligands

DMS

6VZ

Metals

_CA

Waters ×279

References listed in PDB file

Key reference

• Title: Trypsin inhibitors for the treatment of pancreatitis.
• Authors: T.Brandl, O.Simic, P.R.Skaanderup, K.Namoto, F.Berst, C.Ehrhardt, N.Schiering, I.Mueller, J.Woelcke.
• Ref.: Bioorg Med Chem Lett, 2016, 26, 4340-4344. [DOI no: 10.1016/j.bmcl.2016.07.029]
• PubMed id: 27476144

Abstract

Proline-based trypsin inhibitors occupying the S1-S2-S1' region were identified by an HTS screening campaign. It was discovered that truncation of the P1' moiety and appropriate extension into the S4 region led to highly potent trypsin inhibitors with excellent selectivity against related serine proteases and a favorable hERG profile.