7DT2

Strategic design of catalytic lysine-targeting reversible covalent BCR-ABL Inhibitors

Summary for 7DT2

• Entry DOI: 10.2210/pdb7dt2/pdb
• Descriptor: Tyrosine-protein kinase ABL1, [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methanoyl-5-methoxy-phenyl]boronic acid (3 entities in total)
• Functional Keywords: tyrosine kinase covalent inhibitor chronic myelogenous leukemia, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 72678.19

Authors

Anantharajan, J.,Baburajendran, N. (deposition date: 2021-01-04, release date: 2021-06-09, Last modification date: 2023-11-29)

• Primary citation: Quach, D.,Tang, G.,Anantharajan, J.,Baburajendran, N.,Poulsen, A.,Wee, J.L.K.,Retna, P.,Li, R.,Liu, B.,Tee, D.H.Y.,Kwek, P.Z.,Joy, J.K.,Yang, W.Q.,Zhang, C.J.,Foo, K.,Keller, T.H.,Yao, S.Q.; Strategic Design of Catalytic Lysine-Targeting Reversible Covalent BCR-ABL Inhibitors*.; Angew.Chem.Int.Ed.Engl., 60:17131-17137, 2021; PubMed: 34008286; DOI: 10.1002/anie.202105383

Experimental method

X-RAY DIFFRACTION (2.3 Å)