Reaction Details | |||
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Target | Death-associated protein kinase 3 | ||
Ligand | BDBM50569979 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2110869 (CHEMBL4819719) | ||
Kd | 13±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 Chem211:0 (2021) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Death-associated protein kinase 3 | |||
Name: | Death-associated protein kinase 3 | ||
Synonyms: | DAP kinase 3 | DAP-like kinase | DAPK3 | DAPK3_HUMAN | ZIP-kinase | ZIPK | ||
Type: | PROTEIN | ||
Mol. Mass.: | 52537.07 | ||
Organism: | Homo sapiens (Human) | ||
Description: | ChEMBL_586564 | ||
Residue: | 454 | ||
Sequence: |
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BDBM50569979 | |||
n/a | |||
Name | BDBM50569979 | ||
Synonyms: | CHEMBL4875028 | ||
Type | Small organic molecule | ||
Emp. Form. | C33H45N7O3 | ||
Mol. Mass. | 587.7555 | ||
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,(11.87,-16.49,;13.18,-15.69,;13.14,-14.15,;11.78,-13.41,;11.74,-11.87,;13.05,-11.07,;14.4,-11.8,;14.45,-13.34,;15.8,-14.07,;17.11,-13.27,;17.07,-11.73,;18.38,-10.92,;19.74,-11.65,;21.05,-10.84,;21.01,-9.3,;22.41,-11.58,;22.45,-13.12,;23.8,-13.85,;21.14,-13.92,;21.18,-15.46,;19.87,-16.27,;19.91,-17.81,;21.26,-18.54,;22.57,-17.74,;22.53,-16.2,;21.3,-20.08,;22.66,-20.82,;22.7,-22.36,;23.97,-20.01,;23.93,-18.47,;25.24,-17.67,;26.6,-18.39,;26.64,-19.93,;25.33,-20.74,;19.78,-13.19,;18.47,-13.99,;10.39,-11.14,;9.07,-11.94,;7.71,-11.21,;7.67,-9.68,;6.32,-8.94,;8.98,-8.87,;10.34,-9.6,)| | ||
Structure |