8U2D

Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide

Summary for 8U2D

• Entry DOI: 10.2210/pdb8u2d/pdb
• Descriptor: Tyrosine-protein kinase BTK, (3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide, SODIUM ION, ... (7 entities in total)
• Functional Keywords: protein degradation, leukemia, transferase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 32358.45

Authors

Gajewski, S.,Clifton, M.C. (deposition date: 2023-09-05, release date: 2024-01-31, Last modification date: 2024-03-06)

• Primary citation: Robbins, D.W.,Noviski, M.A.,Tan, Y.S.,Konst, Z.A.,Kelly, A.,Auger, P.,Brathaban, N.,Cass, R.,Chan, M.L.,Cherala, G.,Clifton, M.C.,Gajewski, S.,Ingallinera, T.G.,Karr, D.,Kato, D.,Ma, J.,McKinnell, J.,McIntosh, J.,Mihalic, J.,Murphy, B.,Panga, J.R.,Peng, G.,Powers, J.,Perez, L.,Rountree, R.,Tenn-McClellan, A.,Sands, A.T.,Weiss, D.R.,Wu, J.,Ye, J.,Guiducci, C.,Hansen, G.,Cohen, F.; Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies.; J.Med.Chem., 67:2321-2336, 2024; PubMed: 38300987; DOI: 10.1021/acs.jmedchem.3c01007

Experimental method

X-RAY DIFFRACTION (1.95 Å)