Reaction Details  Report a problem with these data
Target
Non-receptor tyrosine-protein kinase TYK2
Ligand
BDBM270872
Substrate
n/a
Meas. Tech.
JAK Enzyme Assay
IC50
390±n/a nM
Citation
 Gauvry, N; Tahtaoui, C; Furet, P; Ducray, P Compounds US Patent  US10059709 Publication Date 8/28/2018
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:
BDBM270872
Synonyms:
US10059709, 18
Type:
Small organic molecule
Emp. Form.:
C16H23N5O4S
Mol. Mass.:
381.45
SMILES:
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1c(cnc2[nH]ccc12)[N+]([O-])=O |r,wU:9.12,wD:6.5,(6.67,2.8,;5.33,2.03,;4,2.8,;4.77,4.13,;3.23,1.46,;2.67,3.57,;1.33,2.8,;,3.57,;-1.33,2.8,;-1.33,1.26,;,.49,;1.33,1.26,;-2.67,.49,;-4,1.26,;-2.67,-1.05,;-4,-1.82,;-4,-3.36,;-2.67,-4.13,;-1.33,-3.36,;.13,-3.84,;1.04,-2.59,;.13,-1.35,;-1.33,-1.82,;-5.33,-1.05,;-5.33,.49,;-6.67,-1.82,)|
Structure:
Search PDB for entries with ligand similarity: