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Target
Dual specificity protein kinase TTK
Ligand
BDBM50569988
Substrate
n/a
Meas. Tech.
ChEMBL_2110865 (CHEMBL4819715)
Kd
0.290000±n/a nM
Citation
 Huang, M; Huang, Y; Guo, J; Yu, L; Chang, Y; Wang, X; Luo, J; Huang, Y; Tu, Z; Lu, X; Xu, Y; Zhang, Z; Zhang, Z; Ding, K Pyrido[2, 3-d]pyrimidin-7(8H)-ones as new selective orally bioavailable Threonine Tyrosine Kinase (TTK) inhibitors. Eur J Med Chem 211:0 (2021) [PubMed]  Article 
Target
Name:
Dual specificity protein kinase TTK
Synonyms:
Dual specificity protein kinase (TTK) | Dual specificity protein kinase TTK (MPS1) | MPS1 | MPS1L1 | Monopolar Spindle 1 (MPS1) | Monopolar Spindle 1 (Mps-1) | Monopolar Spindle 1 Kinase (MPS1) | Phosphotyrosine picked threonine-protein kinase (MPS1) | TTK | TTK_HUMAN
Type:
Protein
Mol. Mass.:
97086.79
Organism:
Homo sapiens (Human)
Description:
P33981
Residue:
857
Sequence:
MESEDLSGRELTIDSIMNKVRDIKNKFKNEDLTDELSLNKISADTTDNSGTVNQIMMMANNPEDWLSLLLKLEKNSVPLSDALLNKLIGRYSQAIEALPPDKYGQNESFARIQVRFAELKAIQEPDDARDYFQMARANCKKFAFVHISFAQFELSQGNVKKSKQLLQKAVERGAVPLEMLEIALRNLNLQKKQLLSEEEKKNLSASTVLTAQESFSGSLGHLQNRNNSCDSRGQTTKARFLYGENMPPQDAEIGYRNSLRQTNKTKQSCPFGRVPVNLLNSPDCDVKTDDSVVPCFMKRQTSRSECRDLVVPGSKPSGNDSCELRNLKSVQNSHFKEPLVSDEKSSELIITDSITLKNKTESSLLAKLEETKEYQEPEVPESNQKQWQSKRKSECINQNPAASSNHWQIPELARKVNTEQKHTTFEQPVFSVSKQSPPISTSKWFDPKSICKTPSSNTLDDYMSCFRTPVVKNDFPPACQLSTPYGQPACFQQQQHQILATPLQNLQVLASSSANECISVKGRIYSILKQIGSGGSSKVFQVLNEKKQIYAIKYVNLEEADNQTLDSYRNEIAYLNKLQQHSDKIIRLYDYEITDQYIYMVMECGNIDLNSWLKKKKSIDPWERKSYWKNMLEAVHTIHQHGIVHSDLKPANFLIVDGMLKLIDFGIANQMQPDTTSVVKDSQVGTVNYMPPEAIKDMSSSRENGKSKSKISPKSDVWSLGCILYYMTYGKTPFQQIINQISKLHAIIDPNHEIEFPDIPEKDLQDVLKCCLKRDPKQRISIPELLAHPYVQIQTHPVNQMAKGTTEEMKYVLGQLVGLNSPNSILKAAKTLYEHYSGGESHNSSSSKTFEKKRGKK
  
Inhibitor
Name:
BDBM50569988
Synonyms:
CHEMBL4869527
Type:
Small organic molecule
Emp. Form.:
C29H39N7O3
Mol. Mass.:
533.6651
SMILES:
CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2cc(C)c1=O |r,wU:8.11,5.4,(31.37,-19.77,;31.4,-21.31,;30.07,-22.1,;30.1,-23.64,;28.73,-21.35,;28.71,-19.82,;27.36,-19.06,;27.34,-17.52,;28.67,-16.74,;30,-17.48,;30.03,-19.02,;28.64,-15.19,;27.3,-14.44,;25.98,-15.23,;24.63,-14.48,;23.3,-15.26,;21.96,-14.51,;21.94,-12.97,;20.6,-12.22,;19.27,-13.01,;19.3,-14.55,;20.64,-15.3,;20.67,-16.84,;19.34,-17.63,;17.93,-12.26,;16.61,-13.05,;15.26,-12.3,;15.24,-10.76,;13.89,-10.01,;16.56,-9.97,;17.91,-10.73,;24.61,-12.94,;25.93,-12.15,;27.27,-12.9,;28.6,-12.11,;29.94,-12.87,;31.26,-12.07,;29.96,-14.41,;31.31,-15.15,)|
Structure:
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