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Target
Tyrosine-protein kinase BTK
Ligand
BDBM50601990
Substrate
n/a
Meas. Tech.
ChEMBL_2238755 (CHEMBL5152651)
Ki
243000±n/a nM
Citation
 Tichenor, MS; Wiener, JJM; Rao, NL; Bacani, GM; Wei, J; Pooley Deckhut, C; Barbay, JK; Kreutter, KD; Chang, L; Clancy, KW; Murrey, HE; Wang, W; Ahn, K; Huber, M; Rex, E; Coe, KJ; Wu, J; Rui, H; Sepassi, K; Gaudiano, M; Bekkers, M; Cornelissen, I; Packman, K; Seierstad, M; Xiouras, C; Bembenek, SD; Alexander, R; Milligan, C; Balasubramanian, S; Lebsack, AD; Venable, JD; Philippar, U; Edwards, JP; Hirst, G Discovery of JNJ-64264681: A Potent and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem 65:14326-14336 (2022) [PubMed] 
Target
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:
MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES
  
Inhibitor
Name:
BDBM50601990
Synonyms:
CHEMBL5179679
Type:
Small organic molecule
Emp. Form.:
C24H26N6O3S
Mol. Mass.:
478.567
SMILES:
CC(C)Cc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)NCCNC(=O)C=C)c([nH]c1=O)c23 |(-10.11,3.45,;-8.77,2.68,;-8.77,1.14,;-7.44,3.45,;-6.11,2.68,;-6.11,1.14,;-4.78,.37,;-4.78,-1.17,;-3.44,1.14,;-3.44,2.69,;-4.78,3.45,;-2.11,.37,;-2.11,-1.17,;-3.44,-1.94,;-3.44,-3.48,;-2.11,-4.25,;-.77,-3.48,;.88,-3.59,;1.65,-2.25,;3.17,-2.05,;4.11,-3.27,;3.76,-.63,;5.29,-.43,;5.88,1,;7.4,1.2,;7.99,2.62,;6.9,3.71,;9.52,2.82,;10.11,4.25,;.56,-1.17,;.56,.37,;-.78,1.14,;-.78,2.68,;-.77,-1.94,)|
Structure:
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