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Target
Tyrosine-protein kinase BTK
Ligand
BDBM467435
Substrate
n/a
Meas. Tech.
ChEMBL_2110232 (CHEMBL4818907)
Ki
150±n/a nM
Citation
 Tichenor, MS; Wiener, JJM; Rao, NL; Pooley Deckhut, C; Barbay, JK; Kreutter, KD; Bacani, GM; Wei, J; Chang, L; Murrey, HE; Wang, W; Ahn, K; Huber, M; Rex, E; Coe, KJ; Wu, J; Seierstad, M; Bembenek, SD; Leonard, KA; Lebsack, AD; Venable, JD; Edwards, JP Discovery of a Potent and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase with Oral Anti-Inflammatory Activity. ACS Med Chem Lett 12:782-790 (2021) [PubMed]  Article 
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:
Human
Description:
Q06187
Residue:
659
Sequence:
MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES
  
Inhibitor
Name:
BDBM467435
Synonyms:
(R)-N-(1-Acryloylpiperidin-3-yl)-5-(*R)-(2-methyl-4- phenoxyphenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide; | US10800792, Example 87
Type:
Small organic molecule
Emp. Form.:
C30H27N5O4S
Mol. Mass.:
553.631
SMILES:
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1.68,4.44,;-3.01,3.67,;-4.34,4.44,;-5.68,3.67,;-7.01,4.44,;-8.34,3.67,;-9.68,4.44,;-11.01,3.67,;-11.01,2.13,;-9.68,1.36,;-8.34,2.13,;-5.68,2.13,;-4.34,1.36,;-3.01,2.13,;-1.68,1.36,;-1.68,-.18,;-3.01,-.95,;-3.01,-2.49,;-1.68,-3.26,;-.34,-2.49,;.99,-3.26,;1.76,-1.75,;3.3,-1.76,;4.06,-3.1,;4.08,-.44,;5.62,-.44,;6.39,.9,;7.93,.9,;8.7,-.44,;7.93,-1.77,;6.39,-1.77,;8.7,-3.1,;7.93,-4.44,;10.24,-3.1,;11.01,-1.77,;.99,-.18,;.99,1.36,;-.34,2.13,;-.34,3.67,;-.34,-.95,)|
Structure:
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