Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM50231827
Substrate
n/a
Meas. Tech.
ChEMBL_1645590 (CHEMBL3994519)
IC50
>50000±n/a nM
Citation
 Maetani, M; Kato, N; Jabor, VAP; Calil, FA; Nonato, MC; Scherer, CA; Schreiber, SL Discovery of Antimalarial Azetidine-2-carbonitriles That Inhibit ACS Med Chem Lett 8:438-442 (2017) [PubMed]  Article 
Target
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:
MAWRHLKKRAQDAVIILGGGGLLFASYLMATGDERFYAEHLMPTLQGLLDPESAHRLAVRFTSLGLLPRARFQDSDMLEVRVLGHKFRNPVGIAAGFDKHGEAVDGLYKMGFGFVEIGSVTPKPQEGNPRPRVFRLPEDQAVINRYGFNSHGLSVVEHRLRARQQKQAKLTEDGLPLGVNLGKNKTSVDAAEDYAEGVRVLGPLADYLVVNVSSPNTAGLRSLQGKAELRRLLTKVLQERDGLRRVHRPAVLVKIAPDLTSQDKEDIASVVKELGIDGLIVTNTTVSRPAGLQGALRSETGGLSGKPLRDLSTQTIREMYALTQGRVPIIGVGGVSSGQDALEKIRAGASLVQLYTALTFWGPPVVGKVKRELEALLKEQGFGGVTDAIGADHRR
  
Inhibitor
Name:
BDBM50231827
Synonyms:
CHEMBL4064731
Type:
Small organic molecule
Emp. Form.:
C23H21F6N3O2
Mol. Mass.:
485.4222
SMILES:
CCCNC(=O)N1[C@H](CO)[C@H]([C@H]1C#N)c1ccc(cc1)-c1ccc(c(c1)C(F)(F)F)C(F)(F)F |r|
Structure:
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