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Target
Tyrosine-protein kinase BTK
Ligand
BDBM288514
Substrate
n/a
Meas. Tech.
Btk Enzyme Activity Assay
IC50
0.370±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:
BDBM288514
Synonyms:
(1S,3R)-3-(8-amino-1- {4-[(4- cyclopropylpyridin-2- yl)carbamoyl]-2- ethoxy-6- fluorophenyl}imidazo [1,5-a]pyrazin-3-yl)- 1,2,2- trimethylcyclopentane carboxylic acid | US10087188, Example 121
Type:
Small organic molecule
Emp. Form.:
C32H35FN6O4
Mol. Mass.:
586.6565
SMILES:
CCOc1cc(cc(F)c1-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C1CC1 |r,wU:13.13,16.18,wD:16.17,(4.24,-.22,;3.85,-1.71,;2.36,-2.11,;1.27,-1.02,;1.67,.47,;.58,1.56,;-.91,1.16,;-1.31,-.33,;-2.8,-.73,;-.22,-1.42,;-.62,-2.91,;.29,-4.15,;-.62,-5.4,;.15,-6.73,;-.75,-7.98,;.15,-9.22,;1.62,-8.75,;2.39,-10.08,;3.16,-8.75,;3.93,-7.41,;3.93,-10.08,;1.62,-7.21,;3.16,-7.21,;2.39,-5.87,;-2.08,-4.92,;-3.42,-5.69,;-4.75,-4.92,;-4.75,-3.38,;-3.42,-2.61,;-3.42,-1.07,;-2.08,-3.38,;.98,3.04,;-.11,4.13,;2.46,3.44,;2.86,4.93,;1.77,6.02,;2.17,7.51,;3.66,7.9,;4.75,6.82,;4.35,5.33,;1.08,8.59,;.69,10.08,;-.4,8.99,)|
Structure:
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