Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM16114
Substrate
BDBM14700
Meas. Tech.
DHODH Inhibition Assay
pH
8±n/a
Temperature
303.15±n/a K
IC50
44±n/a nM
Citation
Baumgartner, R; Walloschek, M; Kralik, M; Gotschlich, A; Tasler, S; Mies, J; Leban, J Dual binding mode of a novel series of DHODH inhibitors. J Med Chem 49:1239-47 (2006) [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:
BDBM16114
Synonyms:
3-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}thiophene-2-carboxylic acid | Biphenyl-4-ylcarbamoyl Thiophene Analog 5 | Compound 6
Type:
Small organic molecule
Emp. Form.:
C19H14FNO4S
Mol. Mass.:
371.382
SMILES:
COc1cccc(c1)-c1ccc(NC(=O)c2ccsc2C(O)=O)c(F)c1