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Target
Tyrosine-protein kinase BTK
Ligand
BDBM468159
Substrate
n/a
Meas. Tech.
TBD
IC50
10.0±n/a nM
Citation
 Arora, N; Bacani, GM; Barbay, JK; Bembenek, SD; Cai, M; Chen, W; Deckhut, CP; Edwards, JP; Ghosh, B; Hao, B; Kreutter, KD; Li, G; Tichenor, MS; Venable, JD; Wei, J; Wiener, JJ; Wu, Y; Zhu, Y; Zhang, F; Zhang, Z; Xiao, K Inhibitors of Bruton's tyrosine kinase and method of their use US Patent  US10800792 Publication Date 10/13/2020
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:
BDBM468159
Synonyms:
(R)-5-(*S)-(2-Methyl-4-phenoxyphenyl)-4-oxo-N-(1- (vinylsulfonyl)pyrrolidin-3-yl)-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide; | US10800792, Example 834
Type:
Small organic molecule
Emp. Form.:
C28H25N5O5S2
Mol. Mass.:
575.659
SMILES:
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)S(=O)(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-2.17,5.21,;-3.5,4.44,;-4.84,5.21,;-6.17,4.44,;-7.51,5.21,;-8.84,4.44,;-10.17,5.21,;-11.51,4.44,;-11.51,2.9,;-10.17,2.13,;-8.84,2.9,;-6.17,2.9,;-4.84,2.13,;-3.5,2.9,;-2.17,2.13,;-2.17,.59,;-3.5,-.18,;-3.5,-1.72,;-2.17,-2.49,;-.84,-1.72,;.5,-2.31,;1.45,-.87,;2.99,-.87,;3.76,.47,;3.76,-2.2,;5.3,-2.2,;6.2,-.95,;7.67,-1.43,;7.67,-2.97,;6.2,-3.45,;8.91,-3.88,;8.14,-5.21,;9.68,-2.54,;10.13,-4.89,;11.51,-4.21,;.5,.59,;.5,2.13,;-.84,2.9,;-.84,4.44,;-.84,-.18,)|
Structure:
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