6NFI

BTK in complex with inhibitor N-(3-{[(2,6-dimethylphenyl)methyl]amino}-7-methoxyindeno[1,2-c]pyrazol-6-yl)methanesulfonamide

Summary for 6NFI

Entry DOI	10.2210/pdb6nfi/pdb
Descriptor	Tyrosine-protein kinase BTK, N-(3-{[(2,6-dimethylphenyl)methyl]amino}-7-methoxyindeno[1,2-c]pyrazol-6-yl)methanesulfonamide, SULFATE ION, ... (4 entities in total)
Functional Keywords	bruton tyrosine kinase, btk, kinase, btk inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	31973.64
Authors	Damm-Ganamet, K.L.,Mirzadegan, T. (deposition date: 2018-12-20, release date: 2019-03-13, Last modification date: 2023-10-11)
Primary citation	Damm-Ganamet, K.L.,Arora, N.,Becart, S.,Edwards, J.P.,Lebsack, A.D.,McAllister, H.M.,Nelen, M.I.,Rao, N.L.,Westover, L.,Wiener, J.J.M.,Mirzadegan, T. Accelerating Lead Identification by High Throughput Virtual Screening: Prospective Case Studies from the Pharmaceutical Industry. J.Chem.Inf.Model., 59:2046-2062, 2019 Cited by PubMed: 30817167 DOI: 10.1021/acs.jcim.8b00941 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.41 Å)

Structure validation