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Target
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A]
Ligand
BDBM493071
Substrate
n/a
Meas. Tech.
Enzymatic Inhibition Assay
IC50
1.40±n/a nM
Citation
 Bacani, GM; Chai, W; Koudriakova, T; Krawczuk, PJ; Kreutter, KD; Leonard, K; Rizzolio, MC; Seierstad, M; Smith, RC; Tichenor, MS; Venable, JD; Wang, A Imidazopyrrolopyridine as inhibitors of the JAK family of kinases US Patent  US10981911 Publication Date 4/20/2021 
Target
Name:
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A]
Synonyms:
TYK2 | TYK2 [aa 580-1182,C936A,C1142A] | TYK2_HUMAN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
68154.85
Organism:
Homo sapiens (Human)
Description:
P29597[aa 580-1182,C936A,C1142A]
Residue:
603
Sequence:
SFHRVDQKEITQLSHLGQGTRTNVYEGRLRVEGSGDPEEGKMDDEDPLVPGRDRGQELRVVLKVLDPSHHDIALAFYETASLMSQVSHTHLAFVHGVCVRGPENIMVTEYVEHGPLDVWLRRERGHVPMAWKMVVAQQLASALSYLENKNLVHGNVCGRNILLARLGLAEGTSPFIKLSDPGVGLGALSREERVERIPWLAPECLPGGANSLSTAMDKWGFGATLLEICFDGEAPLQSRSPSEKEHFYQRQHRLPEPSCPQLATLTSQCLTYEPTQRPSFRTILRDLTRLQPHNLADVLTVNPDSPASDPTVFHKRYLKKIRDLGEGHFGKVSLYCYDPTNDGTGEMVAVKALKADAGPQHRSGWKQEIDILRTLYHEHIIKYKGCCEDQGEKSLQLVMEYVPLGSLRDYLPRHSIGLAQLLLFAQQICEGMAYLHAQHYIHRDLAARNVLLDNDRLVKIGDFGLAKAVPEGHEYYRVREDGDSPVFWYAPECLKEYKFYYASDVWSFGVTLYELLTHCDSSQSPPTKFLELIGIAQGQMTVLRLTELLERGERLPRPDKCPAEVYHLMKNCWETEASFRPTFENLIPILKTVHEKYQGQAPS
  
Inhibitor
Name:
BDBM493071
Synonyms:
2-((1r,4r)-4-(2-(2-(4-Hydroxypiperidin-1-yl)-2-oxoethyl)imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)cyclohexyl)acetonitrile | US10981911, Example 12
Type:
Small organic molecule
Emp. Form.:
C23H28N6O2
Mol. Mass.:
420.5074
SMILES:
OC1CCN(CC1)C(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:25.29,wD:22.25,(-7.13,-3.72,;-6.36,-2.39,;-7.13,-1.06,;-6.36,.28,;-4.82,.28,;-4.05,-1.06,;-4.82,-2.39,;-4.05,1.61,;-4.82,2.94,;-2.51,1.61,;-1.74,.28,;-2.36,-1.13,;-1.22,-2.16,;-1.22,-3.7,;.12,-4.47,;1.45,-3.7,;2.91,-4.18,;3.82,-2.93,;2.91,-1.69,;1.45,-2.16,;.12,-1.39,;-.2,.12,;.88,1.2,;2.37,.81,;3.46,1.89,;3.06,3.38,;4.15,4.47,;5.64,4.07,;7.13,3.67,;1.57,3.78,;.49,2.69,)|
Structure:
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