Submission MAT-POS-1e0c1c67

mc-robinson · August 13, 2020, 2:28pm

Topic automatically created for discussing the designs at:
https://covid.postera.ai/covid/submissions/MAT-POS-1e0c1c67

pwkenny · August 29, 2020, 3:12am

This article may be relevant to the submission (the catalytic mechanism of PTP1B also features a nucleophilic cysteine)

mc-robinson · September 1, 2020, 5:58am

Thanks @pwkenny , I hadn’t seen that one, so nice to see some past literature pointing to a likely mechanism

pwkenny · September 1, 2020, 1:06pm

We saw this structural type showing up in HTS hits against both caspase 3 (a cysteine protease) and PTPRC (a tyrosine phosphatase) while I was at Zeneca in Wilmington in 1997-1999. Compounds of the structural type were subsequently published as PTP1B inhibitors by Biovitrium and we took a quick look at AstraZeneca.