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Target
Tyrosine-protein kinase BTK
Ligand
BDBM359081
Substrate
n/a
Meas. Tech.
Btk Enzyme Activity Assay
IC50
0.630±n/a nM
Citation
 Liu, J; Kozlowski, JA; Boga, SB; Gao, X; Guiadeen, DG; Cai, J; Liu, S; Wang, D; Wu, H; Yang, C Btk inhibitors US Patent  US10214546 Publication Date 2/26/2019 
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:
BDBM359081
Synonyms:
(6R,8aS)-6-[8-amino-1- (2-ethoxy-6-fluoro-4- {(1R)-1-hydroxy-1-[3- (trifluoromethyl)phenyl] ethyl}phenyl)imidazo [1,5-a]pyrazin-3- yl]hexahydroindolizin- 3(2H)-one | US10214546, Example 213
Type:
Small organic molecule
Emp. Form.:
C31H31F4N5O3
Mol. Mass.:
597.6032
SMILES:
CCOc1cc(cc(F)c1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)[C@](C)(O)c1cccc(c1)C(F)(F)F |r,wU:13.13,30.36,wD:16.22,30.35,(5.1,-.54,;4.01,.55,;2.52,.15,;1.43,1.24,;1.83,2.73,;.74,3.82,;-.74,3.42,;-1.14,1.93,;-2.48,2.7,;-.05,.84,;-.45,-.64,;.45,-1.89,;-.45,-3.14,;-.05,-4.62,;-1.14,-5.71,;-.74,-7.2,;.74,-7.6,;1.44,-8.97,;2.96,-8.73,;3.2,-7.21,;4.54,-6.44,;1.83,-6.51,;1.43,-5.02,;-1.92,-2.66,;-3.25,-3.43,;-4.58,-2.66,;-4.58,-1.12,;-3.25,-.35,;-3.25,1.19,;-1.92,-1.12,;1.14,5.31,;2.63,5.7,;1.54,6.79,;.05,6.39,;.45,7.88,;-.64,8.97,;-2.12,8.57,;-2.52,7.08,;-1.43,6,;-4.01,6.69,;-5.1,7.78,;-4.41,5.2,;-3.61,8.17,)|
Structure:
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