Reaction Details Report a problem with these data
Target
Non-receptor tyrosine-protein kinase TYK2 [580-1182]
Ligand
BDBM505110
Substrate
n/a
Meas. Tech.
Enzymatic Inhibition Assay
IC50
2.20±n/a nM
Citation
 Fernandes, P; Krawczuk, PJ; Tichenor, MS Small molecule inhibitors of the JAK family of kinases US Patent  US11066406 Publication Date 7/20/2021 
Target
Name:
Non-receptor tyrosine-protein kinase TYK2 [580-1182]
Synonyms:
TYK2 | TYK2 (aa 580-1182) | TYK2_HUMAN
Type:
n/a
Mol. Mass.:
68754.63
Organism:
Homo sapiens (Human)
Description:
P29597[580-1182]
Residue:
608
Sequence:
SFHRVDQKEITQLSHLGQGTRTNVYEGRLRVEGSGDPEEGKMDDEDPLVPGRDRGQELRVVLKVLDPSHHDIALAFYETASLMSQVSHTHLAFVHGVCVRGPENIMVTEYVEHGPLDVWLRRERGHVPMAWKMVVAQQLASALSYLENKNLVHGNVCGRNILLARLGLAEGTSPFIKLSDPGVGLGALSREERVERIPWLAPECLPGGANSLSTAMDKWGFGATLLEICFDGEAPLQSRSPSEKEHFYQRQHRLPEPSCPQLATLTSQCLTYEPTQRPSFRTILRDLTRLQPHNLADVLTVNPDSPASDPTVFHKRYLKKIRDLGEGHFGKVSLYCYDPTNDGTGEMVAVKALKADCGPQHRSGWKQEIDILRTLYHEHIIKYKGCCEDQGEKSLQLVMEYVPLGSLRDYLPRHSIGLAQLLLFAQQICEGMAYLHAQHYIHRDLAARNVLLDNDRLVKIGDFGLAKAVPEGHEYYRVREDGDSPVFWYAPECLKEYKFYYASDVWSFGVTLYELLTHCDSSQSPPTKFLELIGIAQGQMTVLRLTELLERGERLPRPDKCPCEVYHLMKNCWETEASFRPTFENLIPILKTVHEKYQGQAPSVFSVC
  
Inhibitor
Name:
BDBM505110
Synonyms:
US11066406, Ex. 4
Type:
Small organic molecule
Emp. Form.:
C21H23N7O
Mol. Mass.:
389.4536
SMILES:
O=C(Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1)NCCC#N |(2.71,-11.42,;2.71,-9.88,;4.05,-9.11,;5.38,-9.88,;5.54,-11.41,;7.05,-11.73,;7.82,-13.06,;9.36,-13.06,;10.13,-11.73,;11.63,-11.41,;11.8,-9.88,;10.39,-9.25,;9.36,-10.39,;7.82,-10.39,;6.79,-9.25,;7.11,-7.74,;5.96,-6.71,;6.28,-5.21,;7.75,-4.73,;8.07,-3.22,;9.53,-2.75,;11,-2.27,;8.89,-5.76,;8.57,-7.27,;1.38,-9.11,;.05,-9.88,;-1.29,-9.11,;-2.62,-9.88,;-3.96,-10.65,)|
Structure:
Search PDB for entries with ligand similarity: