Reaction Details  Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM50523224
Substrate
n/a
Meas. Tech.
ChEMBL_1889220 (CHEMBL4390974)
IC50
227±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:
BDBM50523224
Synonyms:
CHEMBL4474026
Type:
Small organic molecule
Emp. Form.:
C20H17ClN2O3
Mol. Mass.:
368.814
SMILES:
OC1=C(N2CCN(CC2)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O |c:1|
Structure:
Search PDB for entries with ligand similarity: