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Target
Tyrosine-protein kinase BTK
Ligand
BDBM288519
Substrate
n/a
Meas. Tech.
Btk Enzyme Activity Assay
IC50
0.470±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:
BDBM288519
Synonyms:
(1S,3S)-3-[8-amino-1- (2-ethoxy-6-fluoro-4- {[4- (trifluoromethyl) pyridin-2- yl]carbamoyl}phenyl) imidazo[1,5-a]pyrazin- 3-yl]-1,3- dimethylcyclopentane carboxylic acid | US10087188, Example 126
Type:
Small organic molecule
Emp. Form.:
C29H28F4N6O4
Mol. Mass.:
600.564
SMILES:
CCOc1cc(cc(F)c1-c1nc(n2ccnc(N)c12)[C@@]1(C)CC[C@@](C)(C1)C(O)=O)C(=O)Nc1cc(ccn1)C(F)(F)F |r,wU:24.30,20.23,wD:24.27,(4.71,-3.47,;3.63,-2.38,;2.14,-2.78,;1.05,-1.69,;1.45,-.2,;.36,.89,;-1.13,.49,;-1.53,-1,;-3.02,-1.4,;-.44,-2.09,;-.84,-3.57,;.07,-4.82,;-.84,-6.07,;-2.3,-5.59,;-3.64,-6.36,;-4.97,-5.59,;-4.97,-4.05,;-3.64,-3.28,;-3.64,-1.74,;-2.3,-4.05,;-.07,-7.4,;-1.61,-7.4,;-.07,-8.94,;1.4,-9.42,;2.3,-8.17,;3.64,-8.94,;1.4,-6.92,;3.64,-7.4,;4.97,-8.17,;3.64,-5.86,;.76,2.38,;-.33,3.47,;2.24,2.77,;2.64,4.26,;1.55,5.35,;1.95,6.84,;3.44,7.24,;4.53,6.15,;4.13,4.66,;.86,7.93,;-.62,7.53,;1.26,9.42,;-.23,9.02,)|
Structure:
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