Reaction Details | |||
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Target | Mitogen-activated protein kinase kinase kinase kinase 1 | ||
Ligand | BDBM598260 | ||
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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BDBM598260 | |||
n/a | |||
Name | BDBM598260 | ||
Synonyms: | (1r,3r)-3-(Difluoromethyl)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 577b | ||
Type | Small organic molecule | ||
Emp. Form. | C23H22F3N5O3 | ||
Mol. Mass. | 473.4477 | ||
SMILES | Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3C[C@@H](C3)C(F)F)ncc2c(N)c1F |r,wU:20.21,wD:22.26,(2.67,-1.61,;4,-.84,;5.33,-1.61,;5.33,-3.15,;6.67,-3.92,;8,-3.15,;8,-1.61,;6.67,-.84,;6.67,.7,;5.33,1.47,;4,.7,;2.67,1.47,;1.33,.7,;,1.47,;-1.33,.7,;-2.67,1.47,;-4,.7,;-5.33,1.47,;-5.33,3.01,;-6.67,.7,;-6.67,-.84,;-5.58,-1.93,;-6.67,-3.01,;-7.76,-1.93,;-6.67,-4.55,;-8,-5.32,;-5.33,-5.32,;-2.67,3.01,;-1.33,3.78,;,3.01,;1.33,3.78,;1.33,5.32,;2.67,3.01,;4,3.78,)| | ||
Structure |