Reaction Details |
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Target | Dihydroorotate dehydrogenase (quinone), mitochondrial |
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Ligand | BDBM50345392 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_751786 (CHEMBL1785541) |
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IC50 | 1200±n/a nM |
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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 |
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More Info.: | Get all data from this article, Assay Method |
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Dihydroorotate dehydrogenase (quinone), mitochondrial |
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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
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BDBM50345392 |
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n/a |
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Name | BDBM50345392 |
Synonyms: | CHEMBL1784591 | N-(5-Bromo-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo-[1,5-a]pyrimidin-7-amine | US9238653, Table 5, Compound 28 |
Type | Small organic molecule |
Emp. Form. | C15H14BrN5 |
Mol. Mass. | 344.209 |
SMILES | Cc1cc(NC2Cc3ccc(Br)cc3C2)n2ncnc2n1 |
Structure |
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