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Target
Tyrosine-protein kinase BTK
Ligand
BDBM230153
Substrate
n/a
Meas. Tech.
Btk Enzyme Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
0.31±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:
BDBM230153
Synonyms:
US9334290, 39
Type:
Small organic molecule
Emp. Form.:
C29H23ClN4O4S
Mol. Mass.:
559.035
SMILES:
Cc1c(cccc1-n1c(=O)cc2sccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(12.93,9,;12.93,10.54,;14.26,11.31,;14.26,12.85,;12.93,13.62,;11.59,12.85,;11.59,11.31,;10.26,10.54,;10.26,9,;11.59,8.23,;8.92,8.23,;7.59,9,;6.13,8.53,;5.22,9.77,;6.13,11.02,;7.59,10.54,;8.92,11.31,;8.92,12.85,;15.59,10.54,;15.59,9,;14.26,8.23,;16.93,8.23,;18.26,9,;19.59,8.23,;20.93,9,;19.59,6.69,;18.26,10.54,;19.41,11.57,;18.78,12.98,;19.41,14.39,;18.5,15.63,;16.97,15.47,;16.34,14.07,;17.25,12.82,;16.93,11.31,;19.13,17.04,;19.75,18.45,;17.72,17.67,;20.53,16.41,)|
Structure:
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