Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (fumarate)
Ligand
BDBM50362838
Substrate
n/a
Meas. Tech.
ChEMBL_1791599 (CHEMBL4263518)
IC50
642400±n/a nM
Citation
 Chibli, LA; Schmidt, TJ; Nonato, MC; Calil, FA; Da Costa, FB Natural products as inhibitors of Leishmania major dihydroorotate dehydrogenase. Eur J Med Chem 157:852-866 (2018) [PubMed]  Article 
Target
Name:
Dihydroorotate dehydrogenase (fumarate)
Synonyms:
1.3.98.1 | DHODH | Dihydroorotate dehydrogenase (fumarate) | Dihydroorotate oxidase
Type:
PROTEIN
Mol. Mass.:
34659.43
Organism:
Leishmania major
Description:
ChEMBL_118088
Residue:
320
Sequence:
MSLQVNLLNNTFANPFMNAAGVMCTTTEELVAMTESASGSLVSKSCTPALREGNPTPRYQALPLGSINSMGLPNNGFDFYLAYAAEQHDYGKKPLFLSMSGLSMRENVEMCKRLAAVATEKGVILELNLSCPNVPGKPQVAYDFDAMRQCLTAVSEVYPHSFGVKMPPYFDFAHFDAAAEILNEFPKVQFITCINSIGNGLVIDAETESVVIKPKQGFGGLGGRYVLPTALANINAFYRRCPGKLIFGCGGVYTGEDAFLHVLAGASMVQVGTALQEEGPSIFERLTSELLGVMAKKRYQTLDEFRGKVRTLDGTAESTR
  
Inhibitor
Name:
BDBM50362838
Synonyms:
CHEMBL249448
Type:
Small organic molecule
Emp. Form.:
C25H24O12
Mol. Mass.:
516.4509
SMILES:
O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: