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Target
Tyrosine-protein kinase BTK
Ligand
BDBM50463723
Substrate
n/a
Meas. Tech.
ChEMBL_1779260 (CHEMBL4236252)
IC50
4.1±n/a nM
Citation
 Qiu, H; Liu-Bujalski, L; Caldwell, RD; Follis, AV; Gardberg, A; Goutopoulos, A; Grenningloh, R; Head, J; Johnson, T; Jones, R; Mochalkin, I; Morandi, F; Neagu, C; Sherer, B Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit. Bioorg Med Chem Lett 28:2939-2944 (2018) [PubMed]  Article 
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:
BDBM50463723
Synonyms:
CHEMBL4250200
Type:
Small organic molecule
Emp. Form.:
C25H24N4O4
Mol. Mass.:
444.4825
SMILES:
NC(=O)c1ccc(nc1Oc1ccc(Oc2ccccc2)cc1)N1CCN(CC1)C(=O)C=C
Structure:
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