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Target
Tyrosine-protein kinase BTK
Ligand
BDBM288589
Substrate
n/a
Meas. Tech.
Btk Enzyme Activity Assay
IC50
0.420±n/a nM
Citation
 Liu, J; Kozlowski, JA; Alhassan, A; Boga, SB; Gao, X; Guiadeen, DG; Wang, J; Yu, W; Cai, J; Liu, S; Wang, D; Wu, H; Yang, C Benzamide imidazopyrazine Btk inhibitors US Patent  US10087188 Publication Date 10/2/2018 
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:
BDBM288589
Synonyms:
US10087188, Example 200 | trans-4-{(2R,5S)-2-[8-amino- 5-chloro-1-(2-fluoro-4-{[4- (trifluoromethyl)pyridin-2- yl]carbamoyl}phenyl)imidazo [1,5-a]pyrazin-3-yl]-5- methylmorpholin-4-yl}-1- methylcyclohexanecarboxylic acid
Type:
Small organic molecule
Emp. Form.:
C32H32ClF4N7O4
Mol. Mass.:
690.088
SMILES:
C[C@H]1CO[C@H](CN1[C@H]1CC[C@@](C)(CC1)C(O)=O)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12 |r,wU:4.18,7.7,1.0,10.11,wD:10.15,(-1,-10.1,;-1.4,-8.61,;-2.89,-8.21,;-3.29,-6.72,;-2.2,-5.63,;-.71,-6.03,;-.31,-7.52,;1.18,-7.92,;2.27,-6.83,;3.75,-7.23,;4.15,-8.72,;5.24,-7.63,;3.06,-9.81,;1.57,-9.41,;5.64,-9.12,;6.73,-8.03,;6.04,-10.6,;-2.6,-4.15,;-1.69,-2.9,;-2.6,-1.66,;-2.05,.48,;-.57,.88,;-.17,2.37,;-1.26,3.46,;-2.74,3.06,;-3.14,1.57,;-4.63,1.17,;-.86,4.94,;-1.95,6.03,;.63,5.34,;1.03,6.83,;2.52,7.23,;2.91,8.72,;1.83,9.81,;.34,9.41,;-.06,7.92,;4.4,9.12,;4.8,10.6,;5.49,8.03,;5.89,9.51,;-4.06,-2.13,;-5.39,-1.36,;-5.39,.18,;-6.73,-2.13,;-6.73,-3.67,;-5.39,-4.44,;-5.39,-5.98,;-4.06,-3.67,)|
Structure:
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