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Target
TRAF2 and NCK-interacting protein kinase
Ligand
BDBM143712
Substrate
n/a
Meas. Tech.
ChEMBL_2025594 (CHEMBL4679407)
IC50
21±n/a nM
Citation
 Yang, B; Wu, Q; Huan, X; Wang, Y; Sun, Y; Yang, Y; Liu, T; Wang, X; Chen, L; Xiong, B; Zhao, D; Miao, Z; Chen, D Discovery of a series of 1H-pyrrolo[2,3-b]pyridine compounds as potent TNIK inhibitors. Bioorg Med Chem Lett 33:0 (2021) [PubMed]  Article 
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:
BDBM143712
Synonyms:
US9682961, 1
Type:
Small organic molecule
Emp. Form.:
C21H21N5O2
Mol. Mass.:
375.4237
SMILES:
O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccc4nc[nH]c4c3)nc12 |r,wU:4.7,1.0,(8.52,-4.99,;7.19,-4.22,;5.85,-4.99,;4.52,-4.22,;4.52,-2.68,;5.85,-1.91,;7.19,-2.68,;3.19,-1.91,;3.19,-.37,;4.52,.4,;4.52,1.94,;3.19,2.71,;1.85,1.94,;.52,2.71,;-.82,1.94,;-.82,.4,;-2.15,-.37,;-3.48,.4,;-3.48,1.94,;-4.82,2.71,;-6.15,1.94,;-7.61,2.41,;-8.52,1.17,;-7.61,-.08,;-6.15,.4,;-4.82,-.37,;.52,-.37,;1.85,.4,)|
Structure:
Search PDB for entries with ligand similarity: