Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM50365230
Substrate
n/a
Meas. Tech.
ChEMBL_2051783 (CHEMBL4706784)
IC50
2600±n/a nM
Citation
 Kokkonda, S; Deng, X; White, KL; Coteron, JM; Marco, M; de Las Heras, L; White, J; El Mazouni, F; Tomchick, DR; Manjalanagara, K; Rudra, KR; Chen, G; Morizzi, J; Ryan, E; Kaminsky, W; Leroy, D; Martínez-Martínez, MS; Jimenez-Diaz, MB; Bazaga, SF; Angulo-Barturen, I; Waterson, D; Burrows, JN; Matthews, D; Charman, SA; Phillips, MA; Rathod, PK Tetrahydro-2-naphthyl and 2-Indanyl Triazolopyrimidines Targeting Plasmodium falciparum Dihydroorotate Dehydrogenase Display Potent and Selective Antimalarial Activity. J Med Chem 59:5416-31 (2016) [PubMed]  Article 
Target
Name:
Dihydroorotate dehydrogenase (quinone), mitochondrial
Synonyms:
DHOdehase | Dhodh | Dihydroorotate Dehydrogenase (DHODH) | Dihydroorotate dehydrogenase, mitochondrial precursor | Dihydroorotate oxidase | PYRD_RAT
Type:
Enzyme
Mol. Mass.:
42672.97
Organism:
Rattus norvegicus (rat)
Description:
The enzyme assay was performed with the histidine-tagged enzyme without cleavage of the tag.
Residue:
395
Sequence:
MAWRQLRKRALDAVIILGGGGLLFTSYLTATGDDHFYAEYLMPGLQRLLDPESAHRLAVRVTSLGLLPRATFQDSDMLEVKVLGHKFRNPVGIAAGFDKNGEAVDGLYKLGFGFVEVGSVTPQPQEGNPRPRVFRLPEDQAVINRYGFNSHGLSVVEHRLRARQQKQAQLTADGLPLGINLGKNKTSEDAAADYAEGVRTLGPLADYLVVNVSSPNTAGLRSLQGKTELRHLLSKVLQERDALKGTRKPAVLVKIAPDLTAQDKEDIASVARELGIDGLIVTNTTVSRPVGLQGALRSETGGLSGKPLRDLSTQTIREMYALTQGRIPIIGVGGVSSGQDALEKIQAGASLVQLYTALIFLGPPVVVRVKRELEALLKERGFTTVTDAIGADHRR
  
Inhibitor
Name:
BDBM50365230
Synonyms:
CHEMBL1956285 | US11903936, Compound DSM265 | US9238653, Table 5, Compound 10
Type:
Small organic molecule
Emp. Form.:
C14H12F7N5S
Mol. Mass.:
415.332
SMILES:
Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2nc(nc2n1)C(C)(F)F
Structure:
Search PDB for entries with ligand similarity: