Reaction Details |
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Target | Dihydroorotate dehydrogenase (quinone), mitochondrial |
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Ligand | BDBM50365237 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_808186 (CHEMBL1961098) |
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IC50 | >100000±n/a nM |
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Citation | Coteron, JM; Marco, M; Esquivias, J; Deng, X; White, KL; White, J; Koltun, M; El Mazouni, F; Kokkonda, S; Katneni, K; Bhamidipati, R; Shackleford, DM; Angulo-Barturen, I; Ferrer, SB; Jiménez-Díaz, MB; Gamo, FJ; Goldsmith, EJ; Charman, WN; Bathurst, I; Floyd, D; Matthews, D; Burrows, JN; Rathod, PK; Charman, SA; Phillips, MA Structure-guided lead optimization of triazolopyrimidine-ring substituents identifies potent Plasmodium falciparum dihydroorotate dehydrogenase inhibitors with clinical candidate potential. J Med Chem54:5540-61 (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: | DHODH | DHOdehase | Dihydroorotate dehydrogenase | Dihydroorotate dehydrogenase (DHODH) | Dihydroorotate dehydrogenase, mitochondrial | Dihydroorotate oxidase | Dihydroorotate oxidase (DHODH) | PYRD_HUMAN |
Type: | Enzyme |
Mol. Mass.: | 42881.33 |
Organism: | Homo sapiens (Human) |
Description: | Q02127 |
Residue: | 395 |
Sequence: | MAWRHLKKRAQDAVIILGGGGLLFASYLMATGDERFYAEHLMPTLQGLLDPESAHRLAVR
FTSLGLLPRARFQDSDMLEVRVLGHKFRNPVGIAAGFDKHGEAVDGLYKMGFGFVEIGSV
TPKPQEGNPRPRVFRLPEDQAVINRYGFNSHGLSVVEHRLRARQQKQAKLTEDGLPLGVN
LGKNKTSVDAAEDYAEGVRVLGPLADYLVVNVSSPNTAGLRSLQGKAELRRLLTKVLQER
DGLRRVHRPAVLVKIAPDLTSQDKEDIASVVKELGIDGLIVTNTTVSRPAGLQGALRSET
GGLSGKPLRDLSTQTIREMYALTQGRVPIIGVGGVSSGQDALEKIRAGASLVQLYTALTF
WGPPVVGKVKRELEALLKEQGFGGVTDAIGADHRR
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BDBM50365237 |
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n/a |
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Name | BDBM50365237 |
Synonyms: | CHEMBL1956275 |
Type | Small organic molecule |
Emp. Form. | C16H18F5N5S |
Mol. Mass. | 407.405 |
SMILES | CCC(C)c1nc2nc(C)cc(Nc3ccc(cc3)S(F)(F)(F)(F)F)n2n1 |
Structure |
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