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Target
Tyrosine-protein kinase BTK
Ligand
BDBM499773
Substrate
n/a
Meas. Tech.
Mobility Shift Assay (MSA) Type A
IC50
2.30±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:
BDBM499773
Synonyms:
(S)-N-(cis-4-((5-(2-chlorobenzoyl)-7H- pyrrolo[2,3-d]pyrimidin-4- yl)amino)cyclohexyl)-2- hydroxypropanamide | US11020398, Compound I-85
Type:
Small organic molecule
Emp. Form.:
C22H24ClN5O3
Mol. Mass.:
441.911
SMILES:
C[C@H](O)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:6.5,9.12,1.1,(-7.16,4.62,;-7.16,3.08,;-8.5,2.31,;-5.83,2.31,;-5.83,.77,;-4.5,3.08,;-3.16,2.31,;-1.83,3.08,;-.5,2.31,;-.5,.77,;-1.83,,;-3.16,.77,;.84,,;.84,-1.54,;-.5,-2.31,;-.5,-3.85,;.84,-4.62,;2.17,-3.85,;3.64,-4.33,;4.54,-3.08,;3.64,-1.83,;4.03,-.35,;2.95,.74,;5.52,.05,;5.92,1.54,;7.41,1.94,;8.5,.85,;8.1,-.64,;6.61,-1.04,;6.21,-2.52,;2.17,-2.31,)|
Structure:
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