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Target
Non-receptor tyrosine-protein kinase TYK2
Ligand
BDBM364418
Substrate
n/a
Meas. Tech.
In Vitro Activity Assay
IC50
676±n/a nM
Citation
 Gray, NS; Tan, L Hydrophobically tagged janus kinase inhibitors and uses thereof US Patent  US9862688 Publication Date 1/9/2018 
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:
BDBM364418
Synonyms:
US9862688, Compound 5
Type:
Small organic molecule
Emp. Form.:
C35H44ClN9O2
Mol. Mass.:
658.236
SMILES:
Clc1cnc(Nc2cnn(CCN3CCN(CC3)C(=O)CC3C4C[C@@H]5CC(C4)C[C@H]3C5)c2)nc1NCc1cccc(NC(=O)C=C)c1 |r,wU:29.30,24.25,TLB:27:26:21.22.23:30,THB:25:26:21:23.24.30,(5.44,-3.59,;4.67,-2.25,;3.13,-2.25,;2.36,-.92,;3.13,.41,;2.36,1.75,;.82,1.75,;-.09,2.99,;-1.55,2.52,;-1.55,.98,;-2.88,.21,;-4.22,.98,;-5.55,.21,;-5.55,-1.33,;-6.88,-2.1,;-8.22,-1.33,;-8.22,.21,;-6.88,.98,;-9.55,-2.1,;-9.55,-3.64,;-10.89,-1.33,;-12.22,-2.1,;-13.55,-1.33,;-14.89,-.56,;-16.22,-1.33,;-16.22,-2.87,;-14.89,-3.64,;-14.89,-2.1,;-13.55,-4.41,;-12.22,-3.64,;-13.95,-3.15,;-.09,.5,;4.67,.41,;5.44,-.92,;6.98,-.92,;7.75,.41,;9.29,.41,;10.06,-.92,;11.6,-.92,;12.37,.41,;11.6,1.75,;12.37,3.08,;13.91,3.08,;14.68,1.75,;14.68,4.41,;16.22,4.41,;10.06,1.75,)|
Structure:
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