Reaction Details
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Tyrosine-protein kinase BTK
Ligand
BDBM267478
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:
BDBM267478
Synonyms:
4-(8-amino-3-((trans)-4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl)-N-(4-cyclopropylpyridin-2-yl)benzamide | US9718828, Example, 8
Type:
Small organic molecule
Emp. Form.:
C26H28N6O2S
Mol. Mass.:
488.605
SMILES:
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nc4CCCCc4s3)c12)[C@H]1CC[C@H](O)CC1 |r,wU:28.32,wD:31.36,(-3.78,-.38,;-3.78,-1.92,;-5.11,-2.69,;-5.11,-4.23,;-3.78,-5,;-2.44,-4.23,;-.98,-4.7,;-.07,-3.46,;-.98,-2.21,;-.58,-.72,;.91,-.33,;1.31,1.16,;.22,2.25,;-1.27,1.85,;-1.67,.36,;.62,3.74,;-.47,4.83,;2.1,4.14,;2.5,5.62,;3.97,6.1,;3.97,7.64,;5.11,8.67,;4.79,10.18,;3.33,10.65,;2.18,9.62,;2.5,8.12,;1.6,6.87,;-2.44,-2.69,;-.58,-6.19,;.91,-6.59,;1.31,-8.08,;.22,-9.17,;.62,-10.65,;-1.27,-8.77,;-1.67,-7.28,)|
Structure:
