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Discovery of a First-in-Class Receptor Interacting Protein 2 (RIP2) Kinase Specific Clinical Candidate, 2-((4-(Benzo[d]thiazol-5-ylamino)-6-(tert-butylsulfonyl)quinazolin-7-yl)oxy)ethyl Dihydrogen Phosphate, for the Treatment of Inflammatory Diseases.
J Med Chem. 2019 Jul 25;62(14):6482-6494. doi: 10.1021/acs.jmedchem.9b00575. Epub 2019 Jul 2.
J Med Chem. 2019.
PMID: 31265286
Automated high throughput pKa and distribution coefficient measurements of pharmaceutical compounds for the SAMPL8 blind prediction challenge.
Bahr MN, Nandkeolyar A, Kenna JK, Nevins N, Da Vià L, Işık M, Chodera JD, Mobley DL.
Bahr MN, et al. Among authors: kenna jk.
J Comput Aided Mol Des. 2021 Nov;35(11):1141-1155. doi: 10.1007/s10822-021-00427-0. Epub 2021 Oct 29.
J Comput Aided Mol Des. 2021.
PMID: 34714468
Free PMC article.
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