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Target
Tyrosine-protein kinase BTK
Ligand
BDBM50012088
Substrate
n/a
Meas. Tech.
ChEMBL_1352435 (CHEMBL3270595)
IC50
32±n/a nM
Citation
Shi, Q; Tebben, A; Dyckman, AJ; Li, H; Liu, C; Lin, J; Spergel, S; Burke, JR; McIntyre, KW; Olini, GC; Strnad, J; Surti, N; Muckelbauer, JK; Chang, C; An, Y; Cheng, L; Ruan, Q; Leftheris, K; Carter, PH; Tino, J; De Lucca, GV Purine derivatives as potent Bruton's tyrosine kinase (BTK) inhibitors for autoimmune diseases. Bioorg Med Chem Lett 24:2206-11 (2014) [PubMed] Article
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:
BDBM50012088
Synonyms:
CHEMBL3263649
Type:
Small organic molecule
Emp. Form.:
C34H41N7O3
Mol. Mass.:
595.7344
SMILES:
Cc1c(NC(=O)C2CCC(CC2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1 |(57.34,-49.43,;57.34,-50.97,;56,-51.74,;54.67,-50.97,;53.33,-51.74,;53.33,-53.28,;52,-50.97,;52,-49.43,;50.67,-48.66,;49.33,-49.43,;49.34,-50.98,;50.67,-51.74,;48,-48.66,;48,-47.12,;46.67,-49.43,;46.66,-47.89,;56,-53.28,;57.34,-54.05,;58.67,-53.28,;58.67,-51.75,;60,-50.98,;60,-49.43,;61.33,-48.66,;61.33,-47.12,;59.99,-46.36,;59.99,-44.81,;58.66,-44.05,;57.32,-44.82,;57.33,-46.37,;58.67,-47.13,;55.99,-44.06,;55.98,-42.52,;54.66,-44.83,;53.31,-44.06,;51.99,-44.83,;51.98,-46.37,;53.32,-47.14,;54.66,-46.37,;62.67,-49.43,;64.14,-48.95,;65.05,-50.2,;64.14,-51.46,;62.67,-50.98,;61.33,-51.75,)|