Submission Details

JOO-IND-b2fae8f6
Molecule(s):
Design Rationale:

Here I've replaced the chloroacetamide warhead of fragment 0749 with cyano-pyrimidine and cyano-triazine warhead, which are described in the publication below. Overlaid 3D structures using Coot and they fit nicely. Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors. Bioorganic & Medicinal Chemistry Letters Volume 20, Issue 5, 1 March 2010, Pages 1524-1527 https://www.sciencedirect.com/science/article/pii/S0960894X10001125

Inspired By:
Discussion:

Contributor: Joost Uitdehaag, industry - Sun, 29 Mar 2020 14:16:10 +0000