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Target
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A]
Ligand
BDBM493096
Substrate
n/a
Meas. Tech.
Enzymatic Inhibition Assay
IC50
2.20±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:
BDBM493096
Synonyms:
N-((1H-imidazol-2-yl)methyl)-2-(1-((1r,4r)-4-(cyanomethyl)cyclohexyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)acetamide | US10981911, Example 36
Type:
Small organic molecule
Emp. Form.:
C22H24N8O
Mol. Mass.:
416.479
SMILES:
O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCc1ncc[nH]1 |r,wU:18.21,wD:15.17,(-3.79,2.83,;-3.02,1.5,;-1.48,1.5,;-.71,.17,;-1.34,-1.24,;-.19,-2.27,;-.19,-3.81,;1.14,-4.58,;2.47,-3.81,;3.94,-4.29,;4.84,-3.04,;3.94,-1.8,;2.47,-2.27,;1.14,-1.5,;.82,0,;1.85,1.15,;3.36,.83,;4.39,1.97,;3.91,3.44,;4.94,4.58,;6.45,4.26,;7.95,3.94,;2.4,3.76,;1.37,2.61,;-3.79,.17,;-5.33,.17,;-6.1,-1.17,;-5.48,-2.58,;-6.62,-3.61,;-7.95,-2.84,;-7.63,-1.33,)|
Structure:
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