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Target
Tyrosine-protein kinase BTK
Ligand
BDBM230149
Substrate
n/a
Meas. Tech.
Btk Enzyme Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
0.33±n/a nM
Comments
extracted
Citation
 Batt, DG; Bertrand, MB; Delucca, G; Galella, MA; Ko, SS; Langevine, CM; Liu, Q; Shi, Q; Srivastava, AS; Tino, JA; Watterson, SH Substituted tetrahydrocarbazole and carbazole carboxamide compounds US Patent  US9334290 Publication Date 5/10/2016
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:
BDBM230149
Synonyms:
US9334290, 22
Type:
Small organic molecule
Emp. Form.:
C31H24F2N4O4
Mol. Mass.:
554.5435
SMILES:
Cc1c(cccc1-n1c(=O)[nH]c2c(F)cccc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(8,6.16,;9.34,6.93,;10.67,6.16,;12,6.93,;12,8.47,;10.67,9.24,;9.34,8.47,;8,9.24,;8,10.78,;9.34,11.55,;6.67,11.55,;5.33,10.78,;4,11.55,;4,13.09,;2.67,10.78,;2.67,9.24,;4,8.47,;5.33,9.24,;6.67,8.47,;6.67,6.93,;10.67,4.62,;9.34,3.85,;8,4.62,;9.34,2.31,;10.67,1.54,;10.67,,;12,-.77,;9.34,-.77,;12,2.31,;13.47,1.83,;14.37,3.08,;15.9,3.24,;16.53,4.65,;15.63,5.89,;14.09,5.73,;13.47,4.33,;12,3.85,;18.06,4.81,;19.59,4.97,;17.9,6.34,;18.22,3.28,)|
Structure:
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