Reaction Details
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Target
Tyrosine-protein kinase BTK
Ligand
BDBM50194719
Substrate
n/a
Meas. Tech.
ChEMBL_1616837 (CHEMBL3858906)
IC50
63±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:
BDBM50194719
Synonyms:
CHEMBL3976719
Type:
Small organic molecule
Emp. Form.:
C32H31FN4O4
Mol. Mass.:
554.6113
SMILES:
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3C[C@H](CCc3c12)C(C)(C)O |r,wD:32.42,(74.94,-7.74,;73.61,-8.52,;72.28,-7.75,;70.95,-8.52,;70.95,-10.06,;72.28,-10.83,;73.62,-10.05,;74.95,-10.82,;74.95,-12.36,;73.62,-13.12,;76.28,-13.12,;76.28,-14.66,;77.61,-12.35,;78.94,-13.12,;78.94,-14.66,;80.27,-12.35,;80.27,-10.8,;78.93,-10.04,;77.61,-10.81,;76.27,-10.04,;76.27,-8.5,;72.28,-6.22,;73.62,-5.45,;73.61,-3.9,;72.28,-3.13,;72.27,-1.59,;73.61,-.82,;70.94,-.83,;70.95,-3.9,;69.48,-3.42,;68.58,-4.67,;67.04,-4.82,;66.4,-6.23,;67.31,-7.48,;68.85,-7.33,;69.48,-5.92,;70.95,-5.45,;64.9,-5.82,;63.81,-4.73,;65.3,-4.33,;63.81,-6.91,)|