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Target
Tyrosine-protein kinase BTK
Ligand
BDBM50561558
Substrate
n/a
Meas. Tech.
ChEMBL_2075208 (CHEMBL4730742)
IC50
1675±n/a nM
Citation
 Zhang, X; Sheng, X; Shen, J; Zhang, S; Sun, W; Shen, C; Li, Y; Wang, J; Lv, H; Cui, M; Zhu, Y; Huang, L; Hao, D; Qi, Z; Sun, G; Mao, W; Pan, Y; Shen, L; Li, X; Hu, G; Gong, Z; Han, S; Li, J; Chen, S; Tu, R; Wang, X; Wu, C Discovery and Evaluation of Pyrazolo[3,4- ACS Med Chem Lett 11:1863-1868 (2020) [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:
BDBM50561558
Synonyms:
CHEMBL4794424
Type:
Small organic molecule
Emp. Form.:
C25H25N7O2
Mol. Mass.:
455.5117
SMILES:
Nc1ncnc(N[C@@H]2CCCN(C2)C(=O)C=C)c1-n1ncc2cc(Oc3ccccc3)ccc12 |r,wU:7.6,(42.22,-11.56,;42.22,-13.1,;40.9,-13.86,;40.9,-15.41,;42.22,-16.18,;43.57,-15.41,;44.9,-16.18,;44.91,-17.72,;43.57,-18.48,;43.56,-20.01,;44.9,-20.79,;46.23,-20.02,;46.24,-18.47,;47.57,-20.8,;47.57,-22.34,;48.9,-20.02,;50.24,-20.8,;43.56,-13.86,;44.89,-13.08,;46.3,-13.7,;47.33,-12.55,;46.55,-11.22,;47.03,-9.76,;45.99,-8.62,;46.46,-7.16,;47.97,-6.83,;49,-7.97,;50.5,-7.65,;50.97,-6.18,;49.93,-5.03,;48.43,-5.36,;44.48,-8.95,;44.02,-10.41,;45.04,-11.55,)|
Structure:
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