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Target
Non-receptor tyrosine-protein kinase TYK2
Ligand
BDBM463638
Substrate
n/a
Meas. Tech.
Caliper Assay
Ki
5±n/a nM
Citation
 Masse, CE; Greenwood, JR; Romero, DL; Harriman, GC; Wester, RT; Shelley, M; Kennedy-Smith, JJ; Dahlgren, M; Mondal, S; Robinson, S TYK2 inhibitors and uses thereof US Patent  US10781204 Publication Date 9/22/2020 
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:
BDBM463638
Synonyms:
US10781204, Compound I-117
Type:
Small organic molecule
Emp. Form.:
C25H25FN6O2
Mol. Mass.:
460.5034
SMILES:
CN(C)[C@H]1CC[C@@H](CC1)Oc1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N |r,wU:3.2,wD:6.9,(-7.34,-2.91,;-5.81,-2.75,;-4.9,-3.99,;-5.18,-1.34,;-6.08,-.09,;-5.46,1.31,;-3.93,1.47,;-3.02,.23,;-3.65,-1.18,;-3.3,2.88,;-1.77,3.04,;-1,4.38,;.51,4.06,;.67,2.52,;-.74,1.9,;2,1.75,;2,.21,;3.34,-.56,;4.67,.21,;4.67,1.75,;5.81,2.79,;5.19,4.19,;3.66,4.03,;2.63,5.18,;3.34,2.52,;3.34,-2.1,;2,-2.87,;.67,-2.1,;2,-4.41,;3.34,-5.18,;4.67,-4.41,;4.72,-2.84,;6.05,-2.07,;7.39,-1.3,)|
Structure:
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