Reaction Details Report a problem with these data
Target
Non-receptor tyrosine-protein kinase TYK2 [580-1182]
Ligand
BDBM505118
Substrate
n/a
Meas. Tech.
Enzymatic Inhibition Assay
IC50
8.70±n/a nM
Citation
 Fernandes, P; Krawczuk, PJ; Tichenor, MS Small molecule inhibitors of the JAK family of kinases US Patent  US11066406 Publication Date 7/20/2021 
Target
Name:
Non-receptor tyrosine-protein kinase TYK2 [580-1182]
Synonyms:
TYK2 | TYK2 (aa 580-1182) | TYK2_HUMAN
Type:
n/a
Mol. Mass.:
68754.63
Organism:
Homo sapiens (Human)
Description:
P29597[580-1182]
Residue:
608
Sequence:
SFHRVDQKEITQLSHLGQGTRTNVYEGRLRVEGSGDPEEGKMDDEDPLVPGRDRGQELRVVLKVLDPSHHDIALAFYETASLMSQVSHTHLAFVHGVCVRGPENIMVTEYVEHGPLDVWLRRERGHVPMAWKMVVAQQLASALSYLENKNLVHGNVCGRNILLARLGLAEGTSPFIKLSDPGVGLGALSREERVERIPWLAPECLPGGANSLSTAMDKWGFGATLLEICFDGEAPLQSRSPSEKEHFYQRQHRLPEPSCPQLATLTSQCLTYEPTQRPSFRTILRDLTRLQPHNLADVLTVNPDSPASDPTVFHKRYLKKIRDLGEGHFGKVSLYCYDPTNDGTGEMVAVKALKADCGPQHRSGWKQEIDILRTLYHEHIIKYKGCCEDQGEKSLQLVMEYVPLGSLRDYLPRHSIGLAQLLLFAQQICEGMAYLHAQHYIHRDLAARNVLLDNDRLVKIGDFGLAKAVPEGHEYYRVREDGDSPVFWYAPECLKEYKFYYASDVWSFGVTLYELLTHCDSSQSPPTKFLELIGIAQGQMTVLRLTELLERGERLPRPDKCPCEVYHLMKNCWETEASFRPTFENLIPILKTVHEKYQGQAPSVFSVC
  
Inhibitor
Name:
BDBM505118
Synonyms:
US11066406, Ex. 12
Type:
Small organic molecule
Emp. Form.:
C22H26N6O2
Mol. Mass.:
406.4808
SMILES:
OC1(CNC(=O)Cc2nc3cnc4[nH]ccc4c3n2C2CCC(CC#N)CC2)CC1 |(5.23,6.31,;6.75,6.04,;6.75,4.5,;8.08,3.73,;8.08,2.19,;9.42,1.42,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;2.23,-.42,;1.91,-1.93,;3.05,-2.96,;2.73,-4.46,;3.87,-5.49,;5.02,-6.52,;4.51,-2.48,;4.83,-.98,;7.28,7.48,;8.27,6.31,)|
Structure:
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