Reaction Details
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Tyrosine-protein kinase BTK
Ligand
BDBM267473
Substrate
n/a
Meas. Tech.
Btk Enzyme Activity Assay A
pH
7.2±n/a
Temperature
298.15±n/a K
EC50
<10.00±n/a nM
Comments
extracted
Citation
De Man, AP; Sterrenburg, J; Raaijmakers, HC; Kaptein, A; Oubrie, AA; Rewinkel, JB; Jans, CG; Wijkmans, JC; Barf, TA; Cooper, AB; Kim, RM; Boga, SB; Zhu, HY; Gao, X; Yao, X; Anand, R; Wu, H; Liu, S; Yang, C; Alhassan, A; Wang, J; Yu, Y; Liu, J; Vaccaro, HM BTK Inhibitors US Patent US9718828 Publication Date 8/1/2017 More Info.:
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:
BDBM267473
Synonyms:
4-(8-amino-3-((trans)-4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl)-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide | US9718828, Example, 3
Type:
Small organic molecule
Emp. Form.:
C27H30N6O2
Mol. Mass.:
470.5661
SMILES:
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H]3CC[C@H](O)CC3)n3ccnc(N)c23)c1 |r,wU:20.20,wD:23.24,(-1.49,10.32,;-.4,9.23,;1.08,9.63,;2.17,8.54,;3.66,8.94,;4.75,7.85,;4.35,6.36,;2.86,5.96,;2.46,4.47,;.98,4.08,;-.11,5.16,;.58,2.59,;1.67,1.5,;1.27,.01,;-.22,-.39,;-1.31,.7,;-.91,2.19,;-.62,-1.88,;.29,-3.12,;-.62,-4.37,;-.22,-5.85,;1.27,-6.25,;1.67,-7.74,;.58,-8.83,;.98,-10.32,;-.91,-8.43,;-1.31,-6.94,;-2.08,-3.89,;-3.42,-4.66,;-4.75,-3.89,;-4.75,-2.35,;-3.42,-1.58,;-3.42,-.04,;-2.08,-2.35,;1.77,7.05,)|
Structure:
