Reaction Details  Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM15339
Substrate
n/a
Meas. Tech.
ChEMBL_1889220 (CHEMBL4390974)
IC50
20000±n/a nM
Citation
 Calil, FA; David, JS; Chiappetta, ERC; Fumagalli, F; Mello, RB; Leite, FHA; Castilho, MS; Emery, FS; Nonato, MC Ligand-based design, synthesis and biochemical evaluation of potent and selective inhibitors of Schistosoma mansoni dihydroorotate dehydrogenase. Eur J Med Chem 167:357-366 (2019) [PubMed]  Article
Target
Name:
Dihydroorotate dehydrogenase (quinone), mitochondrial
Synonyms:
1.3.5.2 | Dihydroorotate dehydrogenase (quinone), mitochondrial
Type:
PROTEIN
Mol. Mass.:
41300.36
Organism:
Schistosoma mansoni
Description:
ChEMBL_119667
Residue:
379
Sequence:
MSRIRTSLEVLSLGFGLFTAEALYSGNEHFYKDWFLPTARLLVRDGETAHNLSVYLASYGFIPHKQRNSFPQLKCKVFGLEFDHPIGLAAGFDKDGKAFMGLLNAGFSHIEVGTVTPNPQLGNARPRIFRWTEKEAVVNRCGFNSDGHDAVYERLKDRPWEGRGVIGVNLGCNKTSADPTADYVAGVRKFGEVADYLVINVSSPNTPGLRSLQTKEKLRDLLSKVLAARNQLSKKTPILLKISPDENDQNLKDIVEVALDSKTRIDGMIISNTTLTTYEEAVACGAAPIPGNNKQNVVYGGLSGRPLFEKSTDCLRKVSALTKGAIPLIGVGGISCGEDALSKLNAGASLVQLYTSFVYQGPPVAHKVAREINKLKMTS
  
Inhibitor
Name:
BDBM15339
Synonyms:
6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-quinoline-4-carboxylic acid | 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylic acid | Biphenquinate | Brequinar | US20240034730, Compound Brequinar
Type:
Small organic molecule
Emp. Form.:
C23H15F2NO2
Mol. Mass.:
375.3675
SMILES:
Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F
Structure:
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