Reaction Details
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Target
Tyrosine-protein kinase BTK
Ligand
BDBM50547848
Substrate
n/a
Meas. Tech.
ChEMBL_2019224 (CHEMBL4672802)
IC50
1.8±n/a nM
Citation
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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:
BDBM50547848
Synonyms:
CHEMBL4741884
Type:
Small organic molecule
Emp. Form.:
C31H26N4O4
Mol. Mass.:
518.5625
SMILES:
Cc1c(cccc1-n1c(=O)cc2ccccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(36.26,-27.65,;34.93,-28.42,;33.61,-27.65,;32.27,-28.43,;32.27,-29.97,;33.6,-30.73,;34.94,-29.96,;36.27,-30.72,;36.28,-32.26,;34.95,-33.04,;37.62,-33.03,;38.95,-32.25,;40.29,-33.02,;41.62,-32.24,;41.61,-30.69,;40.27,-29.94,;38.94,-30.71,;37.61,-29.95,;37.6,-28.41,;33.6,-26.12,;34.94,-25.35,;34.93,-23.8,;33.6,-23.03,;33.6,-21.49,;34.92,-20.72,;32.26,-20.73,;32.26,-23.81,;30.8,-23.34,;29.9,-24.59,;28.37,-24.76,;27.76,-26.16,;28.67,-27.4,;30.19,-27.23,;30.81,-25.83,;32.27,-25.35,;26.23,-26.34,;25.31,-25.1,;25.6,-27.74,;24.73,-26.73,)|