6NFH
BTK in complex with inhibitor 8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)-5,8-dihydropteridine-6,7-dione
Summary for 6NFH
Entry DOI | 10.2210/pdb6nfh/pdb |
Descriptor | Tyrosine-protein kinase BTK, 8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)-5,8-dihydropteridine-6,7-dione, 1,2-ETHANEDIOL, ... (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 | 32459.23 |
Authors | Mirzadegan, T.,Damm-Ganamet, K.L. (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: 30817167DOI: 10.1021/acs.jcim.8b00941 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.4 Å) |
Structure validation
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