Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM470454
Substrate
n/a
Meas. Tech.
ChEMBL_2168542 (CHEMBL5053601)
IC50
6.0±n/a nM
Citation
Sainas, S; Giorgis, M; Circosta, P; Gaidano, V; Bonanni, D; Pippione, AC; Bagnati, R; Passoni, A; Qiu, Y; Cojocaru, CF; Canepa, B; Bona, A; Rolando, B; Mishina, M; Ramondetti, C; Buccinną, B; Piccinini, M; Houshmand, M; Cignetti, A; Giraudo, E; Al-Karadaghi, S; Boschi, D; Saglio, G; Lolli, ML Targeting Acute Myelogenous Leukemia Using Potent Human Dihydroorotate Dehydrogenase Inhibitors Based on the 2-Hydroxypyrazolo[1,5- J Med Chem 64:5404-5428 (2021) [PubMed] Article
More 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:
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|