6X3N

Co-structure of BTK kinase domain with L-005085737 inhibitor

Summary for 6X3N

• Entry DOI: 10.2210/pdb6x3n/pdb
• Descriptor: Tyrosine-protein kinase BTK, 4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, ... (4 entities in total)
• Functional Keywords: bruton tyrosine kinase inhibitor, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 32654.41

Authors

Fischmann, T.O. (deposition date: 2020-05-21, release date: 2020-07-22, Last modification date: 2024-03-06)

• Primary citation: Liu, J.,Guiadeen, D.,Krikorian, A.,Gao, X.,Wang, J.,Babu Boga, S.,Alhassan, A.B.,Yu, W.,Selyutin, O.,Yu, Y.,Anand, R.,Xu, J.,Kelly, J.,Duffy, J.L.,Liu, S.,Yang, C.,Wu, H.,Cai, J.,Bennett, C.,Maloney, K.M.,Tyagarajan, S.,Gao, Y.D.,Fischmann, T.O.,Presland, J.,Mansueto, M.,Xu, Z.,Leccese, E.,Zhang-Hoover, J.,Knemeyer, I.,Garlisi, C.G.,Stivers, P.,Brandish, P.E.,Hicks, A.,Kim, R.,Kozlowski, J.A.; Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.; Bioorg.Med.Chem.Lett., 30:127390-127390, 2020; PubMed: 32738973; DOI: 10.1016/j.bmcl.2020.127390

Experimental method

X-RAY DIFFRACTION (1.95 Å)