Reaction Details Report a problem with these data
Target
Non-receptor tyrosine-protein kinase TYK2
Ligand
BDBM387826
Substrate
n/a
Meas. Tech.
Enzymatic Inhibition Assay
IC50
4.70±n/a nM
Citation
 Koudriakova, T; Kreutter, KD; Leonard, K; Rizzolio, MC; Smith, RC; Tichenor, MS; Wang, A Small molecule inhibitors of the JAK family of kinases US Patent  US10294226 Publication Date 5/21/2019 
Target
Name:
Non-receptor tyrosine-protein kinase TYK2
Synonyms:
Non-receptor tyrosine-protein kinase TYK2 (TYK2) | TYK2 | TYK2_HUMAN | Tyrosine-protein kinase TYK2
Type:
Protein
Mol. Mass.:
133666.03
Organism:
Homo sapiens (Human)
Description:
P29597
Residue:
1187
Sequence:
MPLRHWGMARGSKPVGDGAQPMAAMGGLKVLLHWAGPGGGEPWVTFSESSLTAEEVCIHIAHKVGITPPCFNLFALFDAQAQVWLPPNHILEIPRDASLMLYFRIRFYFRNWHGMNPREPAVYRCGPPGTEASSDQTAQGMQLLDPASFEYLFEQGKHEFVNDVASLWELSTEEEIHHFKNESLGMAFLHLCHLALRHGIPLEEVAKKTSFKDCIPRSFRRHIRQHSALTRLRLRNVFRRFLRDFQPGRLSQQMVMVKYLATLERLAPRFGTERVPVCHLRLLAQAEGEPCYIRDSGVAPTDPGPESAAGPPTHEVLVTGTGGIQWWPVEEEVNKEEGSSGSSGRNPQASLFGKKAKAHKAVGQPADRPREPLWAYFCDFRDITHVVLKEHCVSIHRQDNKCLELSLPSRAAALSFVSLVDGYFRLTADSSHYLCHEVAPPRLVMSIRDGIHGPLLEPFVQAKLRPEDGLYLIHWSTSHPYRLILTVAQRSQAPDGMQSLRLRKFPIEQQDGAFVLEGWGRSFPSVRELGAALQGCLLRAGDDCFSLRRCCLPQPGETSNLIIMRGARASPRTLNLSQLSFHRVDQKEITQLSHLGQGTRTNVYEGRLRVEGSGDPEEGKMDDEDPLVPGRDRGQELRVVLKVLDPSHHDIALAFYETASLMSQVSHTHLAFVHGVCVRGPENIMVTEYVEHGPLDVWLRRERGHVPMAWKMVVAQQLASALSYLENKNLVHGNVCGRNILLARLGLAEGTSPFIKLSDPGVGLGALSREERVERIPWLAPECLPGGANSLSTAMDKWGFGATLLEICFDGEAPLQSRSPSEKEHFYQRQHRLPEPSCPQLATLTSQCLTYEPTQRPSFRTILRDLTRLQPHNLADVLTVNPDSPASDPTVFHKRYLKKIRDLGEGHFGKVSLYCYDPTNDGTGEMVAVKALKADCGPQHRSGWKQEIDILRTLYHEHIIKYKGCCEDQGEKSLQLVMEYVPLGSLRDYLPRHSIGLAQLLLFAQQICEGMAYLHAQHYIHRDLAARNVLLDNDRLVKIGDFGLAKAVPEGHEYYRVREDGDSPVFWYAPECLKEYKFYYASDVWSFGVTLYELLTHCDSSQSPPTKFLELIGIAQGQMTVLRLTELLERGERLPRPDKCPCEVYHLMKNCWETEASFRPTFENLIPILKTVHEKYQGQAPSVFSVC
  
Inhibitor
Name:
BDBM387826
Synonyms:
2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)-N-(1-methyl-1H-pyrazol-4-yl)acetamide | US10294226, Compound Ex. 9 | US10487083, Example 9 | US10981911, Example 38 | US11059823, Example 9
Type:
Small organic molecule
Emp. Form.:
C22H24N8O
Mol. Mass.:
416.479
SMILES:
Cn1cc(NC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)cn1 |r,wU:23.26,wD:20.22,(-8.49,1.71,;-7.16,.94,;-5.7,1.41,;-4.79,.17,;-3.25,.17,;-2.48,1.5,;-3.25,2.83,;-.94,1.5,;-.17,.17,;-.8,-1.24,;.35,-2.27,;.35,-3.81,;1.68,-4.58,;3.01,-3.81,;4.48,-4.29,;5.38,-3.04,;4.48,-1.8,;3.01,-2.27,;1.68,-1.5,;1.36,0,;2.39,1.15,;3.9,.83,;4.93,1.97,;4.45,3.44,;5.48,4.58,;6.99,4.26,;8.49,3.94,;2.95,3.76,;1.91,2.61,;-5.7,-1.08,;-7.16,-.6,)|
Structure:
Search PDB for entries with ligand similarity: