5LGO

Trypsin inhibitors for the treatment of pancreatitis - cpd 15

Summary for 5LGO

Entry DOI	10.2210/pdb5lgo/pdb
Descriptor	Cationic trypsin, DIMETHYL SULFOXIDE, CALCIUM ION, ... (5 entities in total)
Functional Keywords	s1 protease, complex, inhibitor, pancreatitis, hydrolase
Biological source	Bos taurus (Bovine)
Total number of polymer chains	1
Total formula weight	23951.11
Authors	Schiering, N.,D'Arcy, A. (deposition date: 2016-07-07, release date: 2016-08-10, Last modification date: 2024-11-20)
Primary citation	Brandl, T.,Simic, O.,Skaanderup, P.R.,Namoto, K.,Berst, F.,Ehrhardt, C.,Schiering, N.,Mueller, I.,Woelcke, J. Trypsin inhibitors for the treatment of pancreatitis. Bioorg.Med.Chem.Lett., 26:4340-4344, 2016 Cited by PubMed 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. PubMed: 27476144 DOI: 10.1016/j.bmcl.2016.07.029 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.12 Å)

Structure validation