Title : In silico design and computational evaluation of novel 2-arylaminopyrimidine-based compounds as potential multi-targeted protein kinase inhibitors: application for the native and mutant (T315I) Bcr-Abl tyrosine kinase.

Pub. Date : 2022 Apr 26

PMID : 35470777






1 Functional Relationships(s)
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1 According to the data obtained, these compounds exhibit close modes of binding to the Abl kinase active site that are mainly provided by hydrogen bonds and multiple van der Waals contacts. Hydrogen ABL proto-oncogene 1, non-receptor tyrosine kinase Homo sapiens