Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM50396725
Substrate
n/a
Meas. Tech.
ChEMBL_864299 (CHEMBL2175570)
IC50
>100000±n/a nM
Citation
 Marwaha, A; White, J; El Mazouni, F; Creason, SA; Kokkonda, S; Buckner, FS; Charman, SA; Phillips, MA; Rathod, PK Bioisosteric transformations and permutations in the triazolopyrimidine scaffold to identify the minimum pharmacophore required for inhibitory activity against Plasmodium falciparum dihydroorotate dehydrogenase. J Med Chem 55:7425-36 (2012) [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:
BDBM50396725
Synonyms:
CHEMBL2172234
Type:
Small organic molecule
Emp. Form.:
C17H14N4
Mol. Mass.:
274.3199
SMILES:
Cc1cc(Nc2ccc3ccccc3c2)n2nccc2n1
Structure:
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