Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetTyrosine-protein kinase BTK
LigandBDBM50233383
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1650766 (CHEMBL3999900)
IC50 4.5±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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50233383
n/a
NameBDBM50233383
Synonyms:CHEMBL4095276
TypeSmall organic molecule
Emp. Form.C27H25F3N6O3
Mol. Mass.538.521
SMILESCC1(CCC(CC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |(54.12,-18.63,;52.59,-18.63,;51.05,-18.56,;50.33,-17.21,;51.16,-15.9,;52.7,-15.96,;53.41,-17.33,;50.43,-14.54,;51.34,-13.29,;50.43,-12.04,;50.91,-10.58,;52.42,-10.26,;52.9,-8.8,;51.86,-7.65,;50.35,-7.97,;49.88,-9.44,;52.34,-6.18,;51.3,-5.04,;53.85,-5.86,;54.32,-4.39,;53.28,-3.26,;53.76,-1.79,;55.27,-1.47,;56.3,-2.61,;55.83,-4.08,;52.72,-.65,;51.77,.39,;52.96,.95,;51.11,-.74,;48.96,-12.51,;47.64,-11.74,;47.64,-10.2,;46.31,-12.51,;46.31,-14.06,;47.64,-14.82,;48.96,-14.06,;53.3,-19.99,;52.48,-21.29,;54.83,-20.06,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: