OpenCADD-KLIFS: A Python package to fetch kinase data from the KLIFS database

Abstract

Protein kinases are involved in most aspects of cell life due to their role in signal transduction. Dysregulated kinases can cause severe diseases such as cancer, inflammation, and neurodegeneration, which has made them a frequent target in drug discovery for the last decades (Cohen et al., 2021). The immense research on kinases has led to an increasing amount of kinase resources (Kooistra & Volkamer, 2017). Among them is the KLIFS database, which focuses on storing and analyzing structural data on kinases and interacting ligands (Kanev et al., 2020). The OpenCADD-KLIFS Python module offers a convenient integration of the KLIFS data into workflows to facilitate computational kinase research. OpenCADD-KLIFS (opencadd.databases.klifs) is part of the OpenCADD package, a collection of Python modules for structural cheminformatics.