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Target
Non-receptor tyrosine-protein kinase TYK2
Ligand
BDBM50243857
Substrate
n/a
Meas. Tech.
ChEMBL_1672948 (CHEMBL4022977)
IC50
>200000±n/a nM
Citation
 Vazquez, ML; Kaila, N; Strohbach, JW; Trzupek, JD; Brown, MF; Flanagan, ME; Mitton-Fry, MJ; Johnson, TA; TenBrink, RE; Arnold, EP; Basak, A; Heasley, SE; Kwon, S; Langille, J; Parikh, MD; Griffin, SH; Casavant, JM; Duclos, BA; Fenwick, AE; Harris, TM; Han, S; Caspers, N; Dowty, ME; Yang, X; Banker, ME; Hegen, M; Symanowicz, PT; Li, L; Wang, L; Lin, TH; Jussif, J; Clark, JD; Telliez, JB; Robinson, RP; Unwalla, R Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases. J Med Chem 61:1130-1152 (2018) [PubMed]  Article
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:
BDBM50243857
Synonyms:
CHEMBL4100048
Type:
Small organic molecule
Emp. Form.:
C14H20N4O2S
Mol. Mass.:
308.399
SMILES:
CCS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:8.10,6.5,(15.99,-9.61,;14.66,-8.84,;13.32,-9.61,;14.09,-10.94,;12.55,-10.93,;11.99,-8.84,;10.66,-9.62,;9.17,-9.22,;8.78,-10.72,;10.27,-11.11,;7.45,-11.49,;6.11,-10.73,;7.45,-13.03,;6.13,-13.81,;6.12,-15.35,;7.46,-16.12,;8.8,-15.34,;10.27,-15.81,;11.17,-14.56,;10.25,-13.31,;8.79,-13.8,)|
Structure:
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