Reaction Details 
Report a problem with these data
Report a problem with these dataTarget
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM50538349
Substrate
n/a
Meas. Tech.
ChEMBL_1972573 (CHEMBL4605391)
IC50
>100000±n/a nM
Citation
Kokkonda, S; Deng, X; White, KL; El Mazouni, F; White, J; Shackleford, DM; Katneni, K; Chiu, FCK; Barker, H; McLaren, J; Crighton, E; Chen, G; Angulo-Barturen, I; Jimenez-Diaz, MB; Ferrer, S; Huertas-Valentin, L; Martinez-Martinez, MS; Lafuente-Monasterio, MJ; Chittimalla, R; Shahi, SP; Wittlin, S; Waterson, D; Burrows, JN; Matthews, D; Tomchick, D; Rathod, PK; Palmer, MJ; Charman, SA; Phillips, MA Lead Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series for the Treatment of Malaria. J Med Chem 63:4929-4956 (2020) [PubMed] ArticleMore Info.:
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:
BDBM50538349
Synonyms:
CHEMBL4635012
Type:
Small organic molecule
Emp. Form.:
C16H17F3N2O
Mol. Mass.:
310.3142
SMILES:
CCCC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C
Structure:
