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Target
Tyrosine-protein kinase BTK
Ligand
BDBM499739
Substrate
n/a
Meas. Tech.
Mobility Shift Assay (MSA) Type A
IC50
1.90±n/a nM
Citation
 Bates, C; Eathiraj, S; Inagaki, H; Lapierre, J; Momose, T; Nakayama, K; Odagiri, T; Ota, M; Ota, Y; Shibata, Y; Tandon, M; Tsunemi, T Amino-pyrrolopyrimidinone compounds and methods of use thereof US Patent  US11020398 Publication Date 6/1/2021 
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:
BDBM499739
Synonyms:
1-(cis-4-((5-(2-chlorobenzoyl)-7H- pyrrolo[2,3-d]pyrimidin-4- yl)amino)cyclohexyl)pyrrolidin-2-one | US11020398, Compound I-51
Type:
Small organic molecule
Emp. Form.:
C23H24ClN5O2
Mol. Mass.:
437.922
SMILES:
Clc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@H]3CC[C@H](CC3)N3CCCC3=O)c12 |r,wU:18.18,21.25,(5.46,-2.49,;5.86,-1,;7.34,-.6,;7.74,.89,;6.65,1.98,;5.17,1.58,;4.77,.09,;3.28,-.31,;2.19,.78,;2.88,-1.8,;3.79,-3.04,;2.88,-4.29,;1.42,-3.81,;.08,-4.58,;-1.25,-3.81,;-1.25,-2.27,;.08,-1.5,;.08,.04,;-1.25,.81,;-2.58,.04,;-3.92,.81,;-3.92,2.35,;-2.58,3.12,;-1.25,2.35,;-5.25,3.12,;-5.73,4.58,;-7.27,4.58,;-7.74,3.12,;-6.5,2.21,;-6.5,.67,;1.42,-2.27,)|
Structure:
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