Ki Summary

Reaction Details

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Target

Dihydroorotate dehydrogenase (quinone), mitochondrial

Ligand

BDBM50345442

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_751786 (CHEMBL1785541)

IC50

190±n/a nM

Citation

Gujjar, R; El Mazouni, F; White, KL; White, J; Creason, S; Shackleford, DM; Deng, X; Charman, WN; Bathurst, I; Burrows, J; Floyd, DM; Matthews, D; Buckner, FS; Charman, SA; Phillips, MA; Rathod, PK Lead optimization of aryl and aralkyl amine-based triazolopyrimidine inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase with antimalarial activity in mice. J Med Chem54:3935-49 (2011) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Dihydroorotate dehydrogenase (quinone), mitochondrial

Name:

Dihydroorotate dehydrogenase (quinone), mitochondrial

Synonyms:

DHOdehase | Dihydroorotate Dehydrogenase (DHODH) | Dihydroorotate dehydrogenase homolog | Dihydroorotate oxidase

Type:

Enzyme

Mol. Mass.:

65581.88

Organism:

Plasmodium falciparum

Description:

His6-tag DHODH was expressed in E. coli.

Residue:

569

Sequence:

MISKLKPQFMFLPKKHILSYCRKDVLNLFEQKFYYTSKRKESNNMKNESLLRLINYNRYY
NKIDSNNYYNGGKILSNDRQYIYSPLCEYKKKINDISSYVSVPFKINIRNLGTSNFVNNK
KDVLDNDYIYENIKKEKSKHKKIIFLLFVSLFGLYGFFESYNPEFFLYDIFLKFCLKYID
GEICHDLFLLLGKYNILPYDTSNDSIYACTNIKHLDFINPFGVAAGFDKNGVCIDSILKL
GFSFIEIGTITPRGQTGNAKPRIFRDVESRSIINSCGFNNMGCDKVTENLILFRKRQEED
KLLSKHIVGVSIGKNKDTVNIVDDLKYCINKIGRYADYIAINVSSPNTPGLRDNQEAGKL
KNIILSVKEEIDNLEKNNIMNDESTYNEDNKIVEKKNNFNKNNSHMMKDAKDNFLWFNTT
KKKPLVFVKLAPDLNQEQKKEIADVLLETNIDGMIISNTTTQINDIKSFENKKGGVSGAK
LKDISTKFICEMYNYTNKQIPIIASGGIFSGLDALEKIEAGASVCQLYSCLVFNGMKSAV
QIKRELNHLLYQRGYYNLKEAIGRKHSKS

BDBM50345442

n/a

Name

BDBM50345442

Synonyms:

CHEMBL1784577 | N-(3,5-Difluoro-4-(trifluoromethyl)phenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | US9238653, Table 5, Compound 13

Type

Small organic molecule

Emp. Form.

C13H8F5N5

Mol. Mass.

329.2281

SMILES

Cc1cc(Nc2cc(F)c(c(F)c2)C(F)(F)F)n2ncnc2n1

Structure