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Target
Tyrosine-protein kinase BTK
Ligand
BDBM230154
Substrate
n/a
Meas. Tech.
Btk Enzyme Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
0.2±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:
BDBM230154
Synonyms:
US9334290, 41
Type:
Small organic molecule
Emp. Form.:
C31H24F2N4O4
Mol. Mass.:
554.5435
SMILES:
Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(1.33,8.47,;1.33,6.93,;,6.16,;,4.62,;1.33,3.85,;2.67,4.62,;2.67,6.16,;4,6.93,;4,8.47,;2.67,9.24,;5.33,9.24,;6.67,8.47,;8,9.24,;8,10.78,;9.34,8.47,;9.34,6.93,;8,6.16,;6.67,6.93,;5.33,6.16,;5.33,4.62,;-1.33,6.93,;-1.33,8.47,;,9.24,;-2.67,9.24,;-4,8.47,;-5.33,9.24,;-6.67,8.47,;-5.33,10.78,;-4,6.93,;-5.15,5.9,;-4.52,4.49,;-5.15,3.09,;-4.24,1.84,;-2.71,2,;-2.08,3.41,;-2.99,4.65,;-2.67,6.16,;-4.87,.43,;-5.49,-.97,;-3.46,-.19,;-6.27,1.06,)|
Structure:
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