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Target
Tyrosine-protein kinase BTK
Ligand
BDBM264146
Substrate
n/a
Meas. Tech.
ChEMBL_2019226 (CHEMBL4672804)
IC50
18.0±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:
BDBM264146
Synonyms:
4-(3-(5-Fluoro-1,3-dioxo-1H-pyrido[1,2-c]pyrimidin-2(3H)-yl)-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide (Mixture of Four diastereomers) | US9714234, 21 | US9714234, 22
Type:
Small organic molecule
Emp. Form.:
C31H25FN4O4
Mol. Mass.:
536.553
SMILES:
Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(3.08,,;1.75,-.77,;.42,,;-.92,-.77,;-.92,-2.31,;.42,-3.08,;1.75,-2.31,;3.08,-3.08,;3.08,-4.62,;1.75,-5.39,;4.42,-5.39,;5.75,-4.62,;7.09,-5.39,;7.09,-6.93,;8.42,-4.62,;8.42,-3.08,;7.09,-2.31,;5.75,-3.08,;4.42,-2.31,;4.42,-.77,;.42,1.54,;1.75,2.31,;1.75,3.85,;.42,4.62,;.42,6.16,;1.75,6.93,;-.92,6.93,;-.92,3.85,;-2.38,4.33,;-3.29,3.08,;-4.82,2.92,;-5.44,1.51,;-4.54,.27,;-3.01,.43,;-2.38,1.83,;-.92,2.31,;-6.93,1.11,;-7.33,-.37,;-8.42,.71,;-8.02,2.2,)|
Structure:
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