6NZR

CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_12 AKA 4-[(2-methanesulfonylphenyl)amino]-N-(H3)methyl-6-[(pyridin-2- yl)amino]pyridazine-3-carboxamide

Summary for 6NZR

• Entry DOI: 10.2210/pdb6nzr/pdb
• Descriptor: Non-receptor tyrosine-protein kinase TYK2, N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide, SULFATE ION, ... (4 entities in total)
• Functional Keywords: jtk1, pseudokinase, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 71963.21

Authors

Khan, J.A. (deposition date: 2019-02-14, release date: 2019-07-31, Last modification date: 2023-10-11)

• Primary citation: Wrobleski, S.T.,Moslin, R.,Lin, S.,Zhang, Y.,Spergel, S.,Kempson, J.,Tokarski, J.S.,Strnad, J.,Zupa-Fernandez, A.,Cheng, L.,Shuster, D.,Gillooly, K.,Yang, X.,Heimrich, E.,McIntyre, K.W.,Chaudhry, C.,Khan, J.,Ruzanov, M.,Tredup, J.,Mulligan, D.,Xie, D.,Sun, H.,Huang, C.,D'Arienzo, C.,Aranibar, N.,Chiney, M.,Chimalakonda, A.,Pitts, W.J.,Lombardo, L.,Carter, P.H.,Burke, J.R.,Weinstein, D.S.; Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.; J.Med.Chem., 62:8973-8995, 2019; PubMed: 31318208; DOI: 10.1021/acs.jmedchem.9b00444

Experimental method

X-RAY DIFFRACTION (2.56 Å)