Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM444753
Substrate
n/a
Meas. Tech.
Kinases Assay
IC50
>10000±n/a nM
Citation
 Liao, X; Li, J; Lu, Z; Zhou, Y; Gao, A Bruton's tyrosine kinase inhibitors US Patent  US10793566 Publication Date 10/6/2020 
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:
BDBM444753
Synonyms:
4-(3-(4-benzamidophenyl)-1H- pyrazolo[4,3-c] pyridin-1-yl)cyclohexanecarboxylic acid | US10662187, Compound 123 | US10793566, Compound 123
Type:
Small organic molecule
Emp. Form.:
C26H24N4O3
Mol. Mass.:
440.4938
SMILES:
OC(=O)C1CCC(CC1)n1nc(-c2ccc(NC(=O)c3ccccc3)cc2)c2cnccc12 |(1.77,-7.99,;.29,-7.59,;-.8,-8.68,;-.11,-6.11,;-1.6,-5.71,;-2,-4.22,;-.91,-3.13,;.58,-3.53,;.98,-5.02,;-1.31,-1.64,;-.4,-.4,;-1.31,.85,;-.91,2.33,;.58,2.73,;.98,4.22,;-.11,5.31,;.29,6.8,;1.77,7.2,;2.17,8.68,;2.86,6.11,;2.46,4.62,;3.55,3.53,;5.04,3.93,;5.44,5.42,;4.35,6.51,;-1.6,4.91,;-2,3.42,;-2.77,.37,;-4.11,1.14,;-5.44,.37,;-5.44,-1.17,;-4.11,-1.94,;-2.77,-1.17,)|
Structure:
Search PDB for entries with ligand similarity: