Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Dihydroorotate dehydrogenase (quinone), mitochondrial | ||
Ligand | BDBM581488 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | In Vitro Assay: DHODH Enzymatic Assay | ||
IC50 | 0.356±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: |
| ||
BDBM581488 | |||
n/a | |||
Name | BDBM581488 | ||
Synonyms: | 6-(2-Chloro-6-fluorophenyl)-2-(4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro- 1H-1,2,4-triazol-1-yl)-3-fluoro-8-isopropyl-1,6-naphthyridin-5(6H)-one | US11505536, Example 36 | ||
Type | Small organic molecule | ||
Emp. Form. | C22H20ClF2N5O3 | ||
Mol. Mass. | 475.876 | ||
SMILES | CCn1c(CO)nn(-c2nc3c(cn(-c4c(F)cccc4Cl)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,;-6.44,-1.87,;-6.44,-.33,;-7.77,-2.64,;-7.77,-4.18,;-6.44,-4.95,;-5.1,-4.18,;-3.77,-4.95,;-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 |