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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Dihydroorotate dehydrogenase (quinone), mitochondrial | ||
| Ligand | BDBM581521 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | In Vitro Assay: DHODH Enzymatic Assay | ||
| IC50 | 0.435±n/a nM | ||
| Citation |  Kuduk, S; Zhang, Z; DeRatt, L; Wang, A Dihydroorotate dehydrogenase inhibitors US Patent US11505536 Publication Date 11/22/2022 | ||
| 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: |
| ||
| BDBM581521 | |||
| n/a | |||
| Name | BDBM581521 | ||
| Synonyms: | 6-(4-Ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-7-fluoro- 2-(2-fluoro-6-methylphenyl)-4-isopropylisoquinolin-1(2H)-one | US11505536, Example 69 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H24F2N4O3 | ||
| Mol. Mass. | 454.4692 | ||
| SMILES | CCn1c(CO)nn(-c2cc3c(cn(-c4c(C)cccc4F)c(=O)c3cc2F)C(C)C)c1=O |(7.77,2.05,;6.87,.8,;5.33,.96,;4.56,2.29,;5.19,3.7,;4.29,4.95,;3.06,1.97,;2.9,.44,;1.56,-.33,;.23,.44,;-1.1,-.33,;-2.44,.44,;-3.77,-.33,;-3.77,-1.87,;-5.1,-2.64,;-5.1,-4.18,;-3.77,-4.95,;-6.44,-4.95,;-7.77,-4.18,;-7.77,-2.64,;-6.44,-1.87,;-6.44,-.33,;-2.44,-2.64,;-2.44,-4.18,;-1.1,-1.87,;.23,-2.64,;1.56,-1.87,;2.9,-2.64,;-2.44,1.98,;-3.77,2.75,;-1.1,2.75,;4.3,-.18,;4.62,-1.69,)| | ||
| Structure | 
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