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Target
Tyrosine-protein kinase BTK
Ligand
BDBM467364
Substrate
n/a
Meas. Tech.
ChEMBL_2110234 (CHEMBL4818909)
IC50
13±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:
ATK | Agammaglobulinemia tyrosine kinase | B-cell progenitor kinase | BTK_MOUSE | Bpk | Bruton tyrosine kinase | Btk | Kinase EMB
Type:
PROTEIN
Mol. Mass.:
76447.19
Organism:
Mus musculus
Description:
ChEMBL_108319
Residue:
659
Sequence:
MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVIPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPTAAPISTTELKKVVALYDYMPMNANDLQLRKGEEYFILEESNLPWWRARDKNGQEGYIPSNYITEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGEPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSKQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIREGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASERVYTIMYSCWHEKADERPSFKILLSNILDVMDEES
  
Inhibitor
Name:
BDBM467364
Synonyms:
(R)-N-(1-Acryloylpiperidin-3-yl)-5-(2-chloro-4-phenoxyphenyl)-4- oxo-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2- carboxamide; | US10800792, Example 15
Type:
Small organic molecule
Emp. Form.:
C29H24ClN5O4S
Mol. Mass.:
574.05
SMILES:
Clc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.95,3.85,;-3.29,3.08,;-4.62,3.85,;-5.95,3.08,;-7.29,3.85,;-8.62,3.08,;-9.95,3.85,;-11.29,3.08,;-11.29,1.54,;-9.95,.77,;-8.62,1.54,;-5.95,1.54,;-4.62,.77,;-3.29,1.54,;-1.95,.77,;-1.95,-.77,;-3.29,-1.54,;-3.29,-3.08,;-1.95,-3.85,;-.62,-3.08,;.72,-3.85,;2.05,-2.07,;3.59,-2.07,;4.36,-3.41,;4.36,-.74,;5.9,-.74,;6.67,-2.07,;8.21,-2.07,;8.98,-.74,;8.21,.59,;6.67,.59,;8.98,1.93,;8.21,3.26,;10.52,1.93,;11.29,.59,;.72,-.77,;.72,.77,;-.62,1.54,;-.62,3.08,;-.62,-1.54,)|
Structure:
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