Ki Summary

Reaction Details

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Target

Dihydroorotate dehydrogenase (quinone), mitochondrial

Ligand

BDBM581479

Substrate/Competitor

n/a

Meas. Tech.

In Vitro Assay: DHODH Enzymatic Assay

IC50

0.320±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

BDBM581479

n/a

Name

BDBM581479

Synonyms:

2-(2-Chloro-6-fluorophenyl)-6-(4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro- 1H-1,2,4-triazol-1-yl)-7-fluoro-4-(prop-1-en-2-yl)phthalazin-1(2H)-one | US11505536, Example 27

Type

Small organic molecule

Emp. Form.

C22H18ClF2N5O3

Mol. Mass.

473.86

SMILES

CCn1c(CO)nn(-c2cc3c(nn(-c4c(F)cccc4Cl)c(=O)c3cc2F)C(C)=C)c1=O |(7.7,2.21,;6.93,.88,;5.4,1.04,;4.63,2.37,;5.26,3.78,;4.17,4.87,;3.13,2.05,;2.97,.52,;1.63,-.25,;.3,.52,;-1.04,-.25,;-2.37,.52,;-3.7,-.25,;-3.7,-1.79,;-5.04,-2.56,;-5.04,-4.1,;-3.7,-4.87,;-6.37,-4.87,;-7.7,-4.1,;-7.7,-2.56,;-6.37,-1.79,;-6.37,-.25,;-2.37,-2.56,;-2.37,-4.1,;-1.04,-1.79,;.3,-2.56,;1.63,-1.79,;2.97,-2.56,;-2.37,2.06,;-3.7,2.83,;-1.04,2.83,;4.37,-.11,;4.69,-1.61,)|

Structure