6DI0

CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH FRAGMENT LIGAND

Summary for 6DI0

Entry DOI	10.2210/pdb6di0/pdb
Descriptor	Tyrosine-protein kinase BTK, 6-(cyclohexylamino)pyridine-3-carboxamide (3 entities in total)
Functional Keywords	lead optimization, fragment screening by x-ray, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	31817.57
Authors	MOCHALKIN, I. (deposition date: 2018-05-22, release date: 2018-10-17, Last modification date: 2024-03-13)
Primary citation	Caldwell, R.,Liu-Bujalski, L.,Qiu, H.,Mochalkin, I.,Jones, R.,Neagu, C.,Goutopoulos, A.,Grenningloh, R.,Johnson, T.,Sherer, B.,Gardberg, A.,Follis, A.V.,Morandi, F.,Head, J. Discovery of a novel series of pyridine and pyrimidine carboxamides as potent and selective covalent inhibitors of Btk. Bioorg. Med. Chem. Lett., 28:3419-3424, 2018 Cited by PubMed: 30290988 DOI: 10.1016/j.bmcl.2018.09.033 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.3 Å)

Structure validation