Reaction Details | |||
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Target | Mitogen-activated protein kinase kinase kinase kinase 1 | ||
Ligand | BDBM598256 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | TBD | ||
Ki | <0.013±n/a nM | ||
Citation | Liang, J; Mendonca, RV; Siu, M; Tellis, J; Wang, W; Wei, B; Chan, B; Choo, EF; Drobnick, J; Gazzard, LJ; Heffron, T 8-aminoisoquinoline compounds and uses thereof US Patent US11612606 Publication Date 3/28/2023 | ||
More Info.: | Get all data from this article, Assay Method | ||
Mitogen-activated protein kinase kinase kinase kinase 1 | |||
Name: | Mitogen-activated protein kinase kinase kinase kinase 1 | ||
Synonyms: | HPK1 | M4K1_HUMAN | MAP4K1 | ||
Type: | PROTEIN | ||
Mol. Mass.: | 91316.07 | ||
Organism: | Homo sapiens (Human) | ||
Description: | ChEMBL_586597 | ||
Residue: | 833 | ||
Sequence: |
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BDBM598256 | |||
n/a | |||
Name | BDBM598256 | ||
Synonyms: | (1s,3s)-3-(2-Hydroxypropan-2- yl)cyclobutyl(8-amino-7-fluoro-6-(8- methyl-2,3-dihydro-1H-pyrido[2,3- b][1,4]oxazin-7-yl)isoquinolin-3- yl)carbamate | US11612606, Compound 574b | ||
Type | Small organic molecule | ||
Emp. Form. | C25H28FN5O4 | ||
Mol. Mass. | 481.5193 | ||
SMILES | Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3C[C@H](C3)C(C)(C)O)ncc2c(N)c1F |r,wD:20.21,22.26,(2.67,-1.22,;4,-.45,;5.33,-1.22,;5.33,-2.76,;6.67,-3.53,;8,-2.76,;8,-1.22,;6.67,-.45,;6.67,1.09,;5.33,1.86,;4,1.09,;2.67,1.86,;1.33,1.09,;,1.86,;-1.33,1.09,;-2.67,1.86,;-4,1.09,;-5.33,1.86,;-5.33,3.4,;-6.67,1.09,;-6.67,-.45,;-7.76,-1.54,;-6.67,-2.63,;-5.58,-1.54,;-6.67,-4.17,;-5.33,-4.94,;-8,-4.94,;-6.67,-5.71,;-2.67,3.4,;-1.33,4.17,;,3.4,;1.33,4.17,;1.33,5.71,;2.67,3.4,;4,4.17,)| | ||
Structure |