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Target
Dual specificity protein kinase TTK
Ligand
BDBM50569981
Substrate
n/a
Meas. Tech.
ChEMBL_2110865 (CHEMBL4819715)
Kd
0.300000±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:
BDBM50569981
Synonyms:
CHEMBL4868353
Type:
Small organic molecule
Emp. Form.:
C33H39N7O3
Mol. Mass.:
581.7079
SMILES:
COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)c3ccccc3)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(27.01,-14.68,;28.34,-13.91,;28.33,-12.37,;27,-11.6,;26.99,-10.06,;28.33,-9.29,;29.66,-10.05,;29.67,-11.59,;31.01,-12.35,;32.33,-11.58,;32.33,-10.04,;33.66,-9.27,;35,-10.03,;36.33,-9.26,;36.32,-7.72,;37.66,-10.02,;37.67,-11.56,;39,-12.33,;36.34,-12.34,;36.34,-13.88,;35.01,-14.65,;35.02,-16.19,;36.35,-16.96,;37.69,-16.18,;37.68,-14.64,;36.36,-18.5,;37.69,-19.26,;37.7,-20.8,;39.03,-18.49,;39.02,-16.95,;40.35,-16.18,;41.69,-16.94,;41.69,-18.48,;40.36,-19.26,;35,-11.57,;33.67,-12.35,;25.65,-9.3,;24.33,-10.07,;22.99,-9.31,;22.99,-7.77,;21.65,-7,;24.32,-6.99,;25.65,-7.76,)|
Structure:
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