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Target
Non-receptor tyrosine-protein kinase TYK2 [580-1182]
Ligand
BDBM387829
Substrate
n/a
Meas. Tech.
Enzymatic Inhibition Assay
IC50
8.70±n/a nM
Citation
 Kreutter, KD; Leonard, K; Rizzolio, MC; Smith, RC; Tichenor, MS; Wang, A Small molecule inhibitors of the JAK family of kinases US Patent  US10487083 Publication Date 11/26/2019 
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:
BDBM387829
Synonyms:
2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)-N-((1-hydroxycyclopropyl)methyl)acetamide | US10294226, Compound Ex. 12 | US10487083, Example 12 | US10981911, Example 85 | US11059823, Example 12
Type:
Small organic molecule
Emp. Form.:
C22H26N6O2
Mol. Mass.:
406.4808
SMILES:
OC1(CNC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)CC1 |r,wU:22.25,wD:19.21,(-7.77,-.77,;-6.28,-1.17,;-5.51,.17,;-3.97,.17,;-3.2,1.5,;-3.97,2.83,;-1.66,1.5,;-.89,.17,;-1.52,-1.24,;-.38,-2.27,;-.38,-3.81,;.96,-4.58,;2.29,-3.81,;3.76,-4.29,;4.66,-3.04,;3.76,-1.8,;2.29,-2.27,;.96,-1.5,;.64,0,;1.67,1.15,;3.17,.83,;4.2,1.97,;3.73,3.44,;4.76,4.58,;6.27,4.26,;7.77,3.94,;2.22,3.76,;1.19,2.61,;-6.28,-2.71,;-4.95,-1.94,)|
Structure:
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