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Target
Dual specificity protein kinase TTK
Ligand
BDBM50569987
Substrate
n/a
Meas. Tech.
ChEMBL_2110865 (CHEMBL4819715)
Kd
825±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:
BDBM50569987
Synonyms:
CHEMBL4862196
Type:
Small organic molecule
Emp. Form.:
C34H41N7O3
Mol. Mass.:
595.7344
SMILES:
CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2c(cc1=O)-c1ccccc1 |r,wU:8.11,5.4,(32.37,-23.07,;32.39,-24.61,;31.07,-25.4,;31.09,-26.94,;29.72,-24.64,;29.7,-23.1,;28.36,-22.35,;28.34,-20.81,;29.67,-20.02,;31.01,-20.78,;31.03,-22.32,;29.65,-18.48,;28.31,-17.73,;26.98,-18.51,;25.63,-17.76,;24.31,-18.54,;22.97,-17.78,;22.95,-16.24,;21.61,-15.49,;20.28,-16.28,;20.3,-17.82,;21.65,-18.57,;21.67,-20.11,;20.34,-20.9,;18.94,-15.52,;17.61,-16.31,;16.27,-15.55,;16.25,-14.01,;14.91,-13.26,;17.58,-13.23,;18.92,-13.98,;25.61,-16.21,;26.94,-15.43,;28.29,-16.19,;29.61,-15.4,;30.95,-16.15,;30.97,-17.69,;32.32,-18.45,;29.59,-13.86,;28.25,-13.11,;28.24,-11.57,;29.56,-10.78,;30.9,-11.53,;30.92,-13.07,)|
Structure:
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