Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM470454
Substrate
n/a
Meas. Tech.
ChEMBL_2228481 (CHEMBL5141994)
IC50
1.2±n/a nM
Citation
 Cisar, JS; Pietsch, C; DeRatt, LG; Jacoby, E; Kazmi, F; Keohane, C; Legenski, K; Matico, R; Shaffer, P; Simonnet, Y; Tanner, A; Wang, CY; Wang, W; Attar, R; Edwards, JP; Kuduk, SD -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia. J Med Chem 65:11241-11256 (2022) [PubMed] 
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:
BDBM470454
Synonyms:
N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}benzamide | US10815215, Example 121 | US11130745, Example 121 | US11713304, Example 121 | US20240034730, Compound BAY-2402234
Type:
Small organic molecule
Emp. Form.:
C21H18ClF5N4O4
Mol. Mass.:
520.837
SMILES:
CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(F)cccc2Cl)c1=O |r|
Structure:
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