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Target
Tyrosine-protein kinase BTK
Ligand
BDBM50547850
Substrate
n/a
Meas. Tech.
ChEMBL_2019226 (CHEMBL4672804)
IC50
3.1±n/a nM
Citation
 Srivastava, AS; Ko, S; Watterson, SH; Pattoli, MA; Skala, S; Cheng, L; Obermeier, MT; Vickery, R; Discenza, LN; D'Arienzo, CJ; Gillooly, KM; Taylor, TL; Pulicicchio, C; McIntyre, KW; Yip, S; Li, P; Sun, D; Wu, DR; Dai, J; Wang, C; Zhang, Y; Wang, B; Pawluczyk, J; Kempson, J; Zhao, R; Hou, X; Rampulla, R; Mathur, A; Galella, MA; Salter-Cid, L; Barrish, JC; Carter, PH; Fura, A; Burke, JR; Tino, JA Driving Potency with Rotationally Stable Atropisomers: Discovery of Pyridopyrimidinedione-Carbazole Inhibitors of BTK. ACS Med Chem Lett 11:2195-2203 (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:
BDBM50547850
Synonyms:
CHEMBL4741099
Type:
Small organic molecule
Emp. Form.:
C31H25ClN4O4
Mol. Mass.:
553.008
SMILES:
Cc1c(cccc1-n1c(=O)cc2cc(Cl)ccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(14.13,-49.58,;12.8,-50.36,;11.47,-49.59,;10.14,-50.36,;10.13,-51.9,;11.47,-52.67,;12.8,-51.89,;14.14,-52.65,;14.15,-54.2,;12.81,-54.97,;15.48,-54.96,;16.82,-54.19,;18.15,-54.95,;19.49,-54.17,;20.82,-54.93,;19.47,-52.62,;18.13,-51.87,;16.81,-52.64,;15.47,-51.88,;15.47,-50.34,;11.47,-48.05,;12.8,-47.28,;12.8,-45.73,;11.47,-44.96,;11.46,-43.42,;12.79,-42.65,;10.13,-42.66,;10.13,-45.74,;8.66,-45.28,;7.76,-46.52,;6.24,-46.7,;5.62,-48.09,;6.54,-49.34,;8.06,-49.16,;8.67,-47.76,;10.14,-47.28,;4.09,-48.27,;3.18,-47.03,;3.47,-49.68,;2.59,-48.67,)|
Structure:
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