6O8I

BTK In Complex With Inhibitor

Summary for 6O8I

• Entry DOI: 10.2210/pdb6o8i/pdb
• Descriptor: Tyrosine-protein kinase BTK, 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide (3 entities in total)
• Functional Keywords: protein kinase, transferase, transferase-inhibitor complex, transferase/inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 31800.52

Authors

Pokross, M.,Tebben, A.J.,Watterson, S.H. (deposition date: 2019-03-11, release date: 2019-04-03, Last modification date: 2019-04-24)

• Primary citation: Watterson, S.H.,Liu, Q.,Beaudoin Bertrand, M.,Batt, D.G.,Li, L.,Pattoli, M.A.,Skala, S.,Cheng, L.,Obermeier, M.T.,Moore, R.,Yang, Z.,Vickery, R.,Elzinga, P.A.,Discenza, L.,D'Arienzo, C.,Gillooly, K.M.,Taylor, T.L.,Pulicicchio, C.,Zhang, Y.,Heimrich, E.,McIntyre, K.W.,Ruan, Q.,Westhouse, R.A.,Catlett, I.M.,Zheng, N.,Chaudhry, C.,Dai, J.,Galella, M.A.,Tebben, A.J.,Pokross, M.,Li, J.,Zhao, R.,Smith, D.,Rampulla, R.,Allentoff, A.,Wallace, M.A.,Mathur, A.,Salter-Cid, L.,Macor, J.E.,Carter, P.H.,Fura, A.,Burke, J.R.,Tino, J.A.; Discovery of Branebrutinib (BMS-986195): A Strategy for Identifying a Highly Potent and Selective Covalent Inhibitor Providing Rapid in Vivo Inactivation of Bruton's Tyrosine Kinase (BTK).; J. Med. Chem., 62:3228-3250, 2019; PubMed: 30893553; DOI: 10.1021/acs.jmedchem.9b00167

Experimental method

X-RAY DIFFRACTION (1.42 Å)