Reaction Details | |||
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Target | Dihydroorotate dehydrogenase (quinone), mitochondrial | ||
Ligand | BDBM50549954 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2026013 (CHEMBL4679826) | ||
IC50 | 0.222000±n/a nM | ||
Citation | Sabnis, RW Dihydroorotate Dehydrogenase Inhibitors for Treating Acute Myelogenous Leukemia (AML). ACS Med Chem Lett12:170-171 (2021) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Dihydroorotate dehydrogenase (quinone), mitochondrial | |||
Name: | Dihydroorotate dehydrogenase (quinone), mitochondrial | ||
Synonyms: | DHODH | DHOdehase | Dihydroorotate dehydrogenase | Dihydroorotate dehydrogenase (DHODH) | Dihydroorotate dehydrogenase, mitochondrial | Dihydroorotate oxidase | Dihydroorotate oxidase (DHODH) | PYRD_HUMAN | ||
Type: | Enzyme | ||
Mol. Mass.: | 42881.33 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Q02127 | ||
Residue: | 395 | ||
Sequence: |
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BDBM50549954 | |||
n/a | |||
Name | BDBM50549954 | ||
Synonyms: | CHEMBL4791380 | US11505536, Example 11 | ||
Type | Small organic molecule | ||
Emp. Form. | C23H21ClF2N4O3 | ||
Mol. Mass. | 474.888 | ||
SMILES | CCn1c(CO)nn(-c2cc3c(cn(-c4c(F)cccc4Cl)c(=O)c3cc2F)C(C)C)c1=O |(16.55,-8.54,;15.93,-7.13,;14.4,-6.97,;13.63,-5.64,;14.25,-4.23,;15.78,-4.07,;12.12,-5.96,;11.96,-7.49,;10.63,-8.25,;9.3,-7.49,;7.97,-8.25,;6.63,-7.48,;5.29,-8.25,;5.3,-9.79,;3.97,-10.56,;3.97,-12.11,;5.31,-12.88,;2.64,-12.88,;1.3,-12.11,;1.3,-10.57,;2.63,-9.8,;2.63,-8.26,;6.64,-10.56,;6.64,-12.1,;7.96,-9.8,;9.29,-10.57,;10.63,-9.8,;11.96,-10.58,;6.63,-5.94,;7.96,-5.17,;5.3,-5.17,;13.37,-8.11,;13.69,-9.62,)| | ||
Structure |