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TargetTyrosine-protein kinase BTK
LigandBDBM50233390
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1650766 (CHEMBL3999900)
IC50 1.2±n/a nM
Citation Gao, XWang, JLiu, JGuiadeen, DKrikorian, ABoga, SBAlhassan, ABSelyutin, OYu, WYu, YAnand, RLiu, SYang, CWu, HCai, JCooper, AZhu, HMaloney, KGao, YDFischmann, TOPresland, JMansueto, MXu, ZLeccese, EZhang-Hoover, JKnemeyer, IGarlisi, CGBays, NStivers, PBrandish, PEHicks, AKim, RKozlowski, JA Discovery of novel BTK inhibitors with carboxylic acids. Bioorg Med Chem Lett27:1471-1477 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Tyrosine-protein kinase BTK
Name:Tyrosine-protein kinase BTK
Synonyms:AGMX1 | ATK | Agammaglobulinaemia tyrosine kinase | Agammaglobulinemia tyrosine kinase | B cell progenitor kinase | B-cell progenitor kinase | BPK | BTK | BTK_HUMAN | Bruton tyrosine kinase | Tyrosine Kinase BTK | Tyrosine-protein kinase (BTK) | Tyrosine-protein kinase BTK (BTK)
Type:Enzyme
Mol. Mass.:76289.95
Organism:Homo sapiens (Human)
Description:Q06187
Residue:659
Sequence:
MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEK
ITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEEL
RKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSS
HRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDE
YFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGK
EGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELIN
YHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGK
WRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANG
CLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDF
GLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYER
FTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES
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  Blast E-value cutoff:
BDBM50233390
n/a
NameBDBM50233390
Synonyms:CHEMBL4097968
TypeSmall organic molecule
Emp. Form.C26H23F3N6O3
Mol. Mass.524.4944
SMILESNc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:29.32,wD:32.39,(52.42,-33.78,;52.42,-35.32,;51.1,-36.09,;51.1,-37.63,;52.42,-38.4,;53.75,-37.64,;55.22,-38.11,;56.13,-36.86,;55.22,-35.62,;55.69,-34.16,;57.2,-33.84,;57.68,-32.38,;56.65,-31.23,;55.13,-31.56,;54.67,-33.02,;57.12,-29.77,;56.09,-28.62,;58.63,-29.45,;59.1,-27.98,;58.07,-26.85,;58.53,-25.39,;60.05,-25.06,;61.08,-26.2,;60.6,-27.67,;57.5,-24.24,;56.56,-23.21,;57.74,-22.65,;55.9,-24.33,;53.75,-36.09,;55.95,-39.47,;57.48,-39.53,;58.2,-40.9,;57.37,-42.2,;55.83,-42.13,;55.12,-40.77,;58.08,-43.57,;57.26,-44.87,;59.62,-43.63,)|
Structure
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