Reaction Details
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Tyrosine-protein kinase BTK
Ligand
BDBM267492
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:
BDBM267492
Synonyms:
4-(8-amino-3-((trans)-4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl)-N-(4-ethylpyridin-2-yl)benzamide | US9718828, Example, 20
Type:
Small organic molecule
Emp. Form.:
C30H28N6O2
Mol. Mass.:
504.5823
SMILES:
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)-c3ccccc3)c12)[C@H]1CC[C@H](O)CC1 |r,wU:31.35,wD:34.39,(-3.42,-.98,;-3.42,-2.52,;-4.75,-3.29,;-4.75,-4.83,;-3.42,-5.6,;-2.08,-4.83,;-.62,-5.31,;.29,-4.06,;-.62,-2.82,;-.22,-1.33,;1.27,-.93,;1.67,.56,;.58,1.64,;-.91,1.25,;-1.31,-.24,;.98,3.13,;-.11,4.22,;2.46,3.53,;2.86,5.02,;1.77,6.11,;2.17,7.59,;3.66,7.99,;4.75,6.9,;4.35,5.42,;1.08,8.68,;1.48,10.17,;.39,11.26,;-1.09,10.86,;-1.49,9.37,;-.4,8.29,;-2.08,-3.29,;-.22,-6.8,;1.27,-7.2,;1.67,-8.68,;.58,-9.77,;.98,-11.26,;-.91,-9.37,;-1.31,-7.89,)|
Structure:
