5J87
Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a Highly Selective Irreversible BTK Kinase Inhibitor
Summary for 5J87
Entry DOI | 10.2210/pdb5j87/pdb |
Descriptor | Tyrosine-protein kinase BTK, N-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide (3 entities in total) |
Functional Keywords | btk, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Homo sapiens (Human) |
Cellular location | Cytoplasm: Q06187 |
Total number of polymer chains | 4 |
Total formula weight | 130061.39 |
Authors | |
Primary citation | Liang, Q.,Chen, Y.,Yu, K.,Chen, C.,Zhang, S.,Wang, A.,Wang, W.,Wu, H.,Liu, X.,Wang, B.,Wang, L.,Hu, Z.,Wang, W.,Ren, T.,Zhang, S.,Liu, Q.,Yun, C.H.,Liu, J. Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a highly selective irreversible Bruton's tyrosine kinase (BTK) inhibitor. Eur J Med Chem, 131:107-125, 2017 Cited by PubMed: 28315597DOI: 10.1016/j.ejmech.2017.03.001 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.59 Å) |
Structure validation
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