Reaction Details Report a problem with these data
Target
TRAF2 and NCK-interacting protein kinase
Ligand
BDBM585246
Substrate
n/a
Meas. Tech.
TNIK Human STE Kinase Enzymatic Radiometric Assay
IC50
6.5±n/a nM
Citation
 Zavoronkovs, A; Aliper, A; Aladinskiy, V; Kukharenko, A Analogs for the treatment of disease US Patent  US11530197 Publication Date 12/20/2022 
Target
Name:
TRAF2 and NCK-interacting protein kinase
Synonyms:
KIAA0551 | TNIK | TNIK_HUMAN | TRAF2 and NCK-interacting protein kinase (TNIK) | TRAF2- and NCK-interacting kinase
Type:
Protein
Mol. Mass.:
154954.98
Organism:
Homo sapiens (Human)
Description:
Q9UKE5
Residue:
1360
Sequence:
MASDSPARSLDEIDLSALRDPAGIFELVELVGNGTYGQVYKGRHVKTGQLAAIKVMDVTGDEEEEIKQEINMLKKYSHHRNIATYYGAFIKKNPPGMDDQLWLVMEFCGAGSVTDLIKNTKGNTLKEEWIAYICREILRGLSHLHQHKVIHRDIKGQNVLLTENAEVKLVDFGVSAQLDRTVGRRNTFIGTPYWMAPEVIACDENPDATYDFKSDLWSLGITAIEMAEGAPPLCDMHPMRALFLIPRNPAPRLKSKKWSKKFQSFIESCLVKNHSQRPATEQLMKHPFIRDQPNERQVRIQLKDHIDRTKKKRGEKDETEYEYSGSEEEEEENDSGEPSSILNLPGESTLRRDFLRLQLANKERSEALRRQQLEQQQRENEEHKRQLLAERQKRIEEQKEQRRRLEEQQRREKELRKQQEREQRRHYEEQMRREEERRRAEHEQEYIRRQLEEEQRQLEILQQQLLHEQALLLEYKRKQLEEQRQAERLQRQLKQERDYLVSLQHQRQEQRPVEKKPLYHYKEGMSPSEKPAWAKEVEERSRLNRQSSPAMPHKVANRISDPNLPPRSESFSISGVQPARTPPMLRPVDPQIPHLVAVKSQGPALTASQSVHEQPTKGLSGFQEALNVTSHRVEMPRQNSDPTSENPPLPTRIEKFDRSSWLRQEEDIPPKVPQRTTSISPALARKNSPGNGSALGPRLGSQPIRASNPDLRRTEPILESPLQRTSSGSSSSSSTPSSQPSSQGGSQPGSQAGSSERTRVRANSKSEGSPVLPHEPAKVKPEESRDITRPSRPASYKKAIDEDLTALAKELRELRIEETNRPMKKVTDYSSSSEESESSEEEEEDGESETHDGTVAVSDIPRLIPTGAPGSNEQYNVGMVGTHGLETSHADSFSGSISREGTLMIRETSGEKKRSGHSDSNGFAGHINLPDLVQQSHSPAGTPTEGLGRVSTHSQEMDSGTEYGMGSSTKASFTPFVDPRVYQTSPTDEDEEDEESSAAALFTSELLRQEQAKLNEARKISVVNVNPTNIRPHSDTPEIRKYKKRFNSEILCAALWGVNLLVGTENGLMLLDRSGQGKVYNLINRRRFQQMDVLEGLNVLVTISGKKNKLRVYYLSWLRNRILHNDPEVEKKQGWITVGDLEGCIHYKVVKYERIKFLVIALKNAVEIYAWAPKPYHKFMAFKSFADLQHKPLLVDLTVEEGQRLKVIFGSHTGFHVIDVDSGNSYDIYIPSHIQGNITPHAIVILPKTDGMEMLVCYEDEGVYVNTYGRITKDVVLQWGEMPTSVAYIHSNQIMGWGEKAIEIRSVETGHLDGVFMHKRAQRLKFLCERNDKVFFASVRSGGSSQVFFMTLNRNSMMNW
  
Inhibitor
Name:
BDBM585246
Synonyms:
US11530197, Compound 159
Type:
Small organic molecule
Emp. Form.:
C30H34FN7O2
Mol. Mass.:
543.6351
SMILES:
CN1CCN(CC1)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2[C@H]2CC[C@H](O)CC2)-c2ccc(F)cc2)cc1 |r,wU:27.30,wD:24.26,(-10.31,-.25,;-8.77,-.25,;-8,-1.58,;-6.46,-1.58,;-5.69,-.25,;-6.46,1.09,;-8,1.09,;-4.15,-.25,;-3.38,-1.58,;-1.84,-1.58,;-1.07,-.25,;.47,-.25,;1.24,1.09,;.47,2.42,;2.78,1.09,;3.68,2.33,;5.15,1.86,;5.15,.32,;3.68,-.16,;6.39,-.59,;7.86,-.11,;8.76,-1.36,;7.86,-2.6,;6.39,-2.13,;5.15,-3.03,;3.74,-2.41,;2.49,-3.31,;2.65,-4.84,;1.41,-5.75,;4.06,-5.47,;5.31,-4.56,;8.33,1.35,;9.84,1.67,;10.31,3.14,;9.28,4.28,;9.76,5.75,;7.78,3.96,;7.3,2.5,;-1.84,1.09,;-3.38,1.09,)|
Structure:
Search PDB for entries with ligand similarity: