Ki Summary

Reaction Details

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Target

Dihydroorotate dehydrogenase (quinone), mitochondrial

Ligand

BDBM28836

Substrate/Competitor

BDBM14700

Meas. Tech.

DHODH Inhibition Assay

IC50

4600±n/a nM

Citation

Gujjar, R; Marwaha, A; El Mazouni, F; White, J; White, KL; Creason, S; Shackleford, DM; Baldwin, J; Charman, WN; Buckner, FS; Charman, S; Rathod, PK; Phillips, MA Identification of a metabolically stable triazolopyrimidine-based dihydroorotate dehydrogenase inhibitor with antimalarial activity in mice. J Med Chem52:1864-72 (2009) [PubMed] Article

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Dihydroorotate dehydrogenase (quinone), mitochondrial

Name:

Dihydroorotate dehydrogenase (quinone), mitochondrial

Synonyms:

DHOdehase | Dihydroorotate Dehydrogenase (DHODH) | Dihydroorotate dehydrogenase homolog | Dihydroorotate oxidase | PYRD_PLAF7

Type:

Enzyme

Mol. Mass.:

65581.88

Organism:

Plasmodium falciparum (isolate 3D7)

Description:

Q08210

Residue:

569

Sequence:

MISKLKPQFMFLPKKHILSYCRKDVLNLFEQKFYYTSKRKESNNMKNESLLRLINYNRYY
NKIDSNNYYNGGKILSNDRQYIYSPLCEYKKKINDISSYVSVPFKINIRNLGTSNFVNNK
KDVLDNDYIYENIKKEKSKHKKIIFLLFVSLFGLYGFFESYNPEFFLYDIFLKFCLKYID
GEICHDLFLLLGKYNILPYDTSNDSIYACTNIKHLDFINPFGVAAGFDKNGVCIDSILKL
GFSFIEIGTITPRGQTGNAKPRIFRDVESRSIINSCGFNNMGCDKVTENLILFRKRQEED
KLLSKHIVGVSIGKNKDTVNIVDDLKYCINKIGRYADYIAINVSSPNTPGLRDNQEAGKL
KNIILSVKEEIDNLEKNNIMNDESTYNEDNKIVEKKNNFNKNNSHMMKDAKDNFLWFNTT
KKKPLVFVKLAPDLNQEQKKEIADVLLETNIDGMIISNTTTQINDIKSFENKKGGVSGAK
LKDISTKFICEMYNYTNKQIPIIASGGIFSGLDALEKIEAGASVCQLYSCLVFNGMKSAV
QIKRELNHLLYQRGYYNLKEAIGRKHSKS

BDBM28836

BDBM14700

Name

BDBM28836

Synonyms:

N-(4-fluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | triazolopyrimidine-based compound, DSM82

Type

Small organic molecule

Emp. Form.

C13H12FN5

Mol. Mass.

257.2663

SMILES

Cc1cc(Nc2ccc(F)c(C)c2)n2ncnc2n1

Structure