Ki Summary

Reaction Details

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Target

Dihydroorotate dehydrogenase (quinone), mitochondrial

Ligand

BDBM581532

Substrate/Competitor

n/a

Meas. Tech.

In Vitro Assay: DHODH Enzymatic Assay

IC50

0.273±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:

Type:

Enzyme

Mol. Mass.:

42881.33

Organism:

Homo sapiens (Human)

Description:

Q02127

Residue:

395

Sequence:

MAWRHLKKRAQDAVIILGGGGLLFASYLMATGDERFYAEHLMPTLQGLLDPESAHRLAVR
FTSLGLLPRARFQDSDMLEVRVLGHKFRNPVGIAAGFDKHGEAVDGLYKMGFGFVEIGSV
TPKPQEGNPRPRVFRLPEDQAVINRYGFNSHGLSVVEHRLRARQQKQAKLTEDGLPLGVN
LGKNKTSVDAAEDYAEGVRVLGPLADYLVVNVSSPNTAGLRSLQGKAELRRLLTKVLQER
DGLRRVHRPAVLVKIAPDLTSQDKEDIASVVKELGIDGLIVTNTTVSRPAGLQGALRSET
GGLSGKPLRDLSTQTIREMYALTQGRVPIIGVGGVSSGQDALEKIRAGASLVQLYTALTF
WGPPVVGKVKRELEALLKEQGFGGVTDAIGADHRR

BDBM581532

n/a

Name

BDBM581532

Synonyms:

2-(2-Chloro-6-fluoro-3-methoxyphenyl)-6-(4-ethyl-3-(hydroxymethyl)-5-oxo-4,5- dihydro-1H-1,2,4-triazol-1-yl)-7-fluoro-4-isopropylisoquinolin-1(2H)-one | US11505536, Example 80

Type

Small organic molecule

Emp. Form.

C24H23ClF2N4O4

Mol. Mass.

504.914

SMILES

CCn1c(CO)nn(-c2cc3c(cn(-c4c(F)ccc(OC)c4Cl)c(=O)c3cc2F)C(C)C)c1=O |(7.77,3.2,;6.87,1.95,;5.33,2.12,;4.56,3.45,;5.19,4.86,;4.29,6.1,;3.06,3.13,;2.9,1.6,;1.56,.83,;.23,1.6,;-1.1,.83,;-2.44,1.6,;-3.77,.83,;-3.77,-.71,;-5.1,-1.48,;-6.44,-.71,;-6.44,.83,;-7.77,-1.48,;-7.77,-3.02,;-6.44,-3.79,;-6.44,-5.33,;-5.1,-6.1,;-5.1,-3.02,;-3.77,-3.79,;-2.44,-1.48,;-2.44,-3.02,;-1.1,-.71,;.23,-1.48,;1.56,-.71,;2.9,-1.48,;-2.44,3.14,;-3.77,3.91,;-1.1,3.91,;4.3,.97,;4.62,-.53,)|

Structure