Reaction Details  Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM50575128
Substrate
n/a
Meas. Tech.
ChEMBL_2124109 (CHEMBL4833342)
IC50
1900±n/a nM
Citation
 Luo, X; Cai, G; Guo, Y; Gao, C; Huang, W; Zhang, Z; Lu, H; Liu, K; Chen, J; Xiong, X; Lei, J; Zhou, X; Wang, J; Liu, Y Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer. J Med Chem 64:13918-13932 (2021) [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:
BDBM50575128
Synonyms:
Ilicicolin C
Type:
Small organic molecule
Emp. Form.:
C23H31ClO4
Mol. Mass.:
406.943
SMILES:
C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)CC\C(C)=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O |r|
Structure:
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