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Target
Tyrosine-protein kinase BTK
Ligand
BDBM499757
Substrate
n/a
Meas. Tech.
Mobility Shift Assay (MSA) Type A
IC50
2.20±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:
BDBM499757
Synonyms:
(2-chlorophenyl)(4-((cis-4-(pyrrolidin- 1-yl)cyclohexyl)amino)-7H-pyrrolo[2,3- d]pyrimidin-5-yl)methanone | US11020398, Compound I-69
Type:
Small organic molecule
Emp. Form.:
C23H26ClN5O
Mol. Mass.:
423.938
SMILES:
Clc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@H]3CC[C@H](CC3)N3CCCC3)c12 |r,wU:21.25,18.18,(4.02,2.39,;5.11,1.3,;6.59,1.7,;7.68,.61,;7.28,-.88,;5.8,-1.27,;4.71,-.19,;3.22,-.58,;2.13,.5,;2.82,-2.07,;3.73,-3.32,;2.82,-4.56,;1.36,-4.09,;.02,-4.86,;-1.31,-4.09,;-1.31,-2.55,;.02,-1.78,;.02,-.24,;-1.31,.53,;-2.64,-.24,;-3.98,.53,;-3.98,2.07,;-2.64,2.84,;-1.31,2.07,;-5.31,2.84,;-5.31,4.38,;-6.78,4.86,;-7.68,3.61,;-6.78,2.37,;1.36,-2.55,)|
Structure:
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