Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM119812
Substrate
n/a
Meas. Tech.
ChEMBL_2168542 (CHEMBL5053601)
IC50
35±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 
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:
Human
Description:
Q02127
Residue:
395
Sequence:
MAWRHLKKRAQDAVIILGGGGLLFASYLMATGDERFYAEHLMPTLQGLLDPESAHRLAVRFTSLGLLPRARFQDSDMLEVRVLGHKFRNPVGIAAGFDKHGEAVDGLYKMGFGFVEIGSVTPKPQEGNPRPRVFRLPEDQAVINRYGFNSHGLSVVEHRLRARQQKQAKLTEDGLPLGVNLGKNKTSVDAAEDYAEGVRVLGPLADYLVVNVSSPNTAGLRSLQGKAELRRLLTKVLQERDGLRRVHRPAVLVKIAPDLTSQDKEDIASVVKELGIDGLIVTNTTVSRPAGLQGALRSETGGLSGKPLRDLSTQTIREMYALTQGRVPIIGVGGVSSGQDALEKIRAGASLVQLYTALTFWGPPVVGKVKRELEALLKEQGFGGVTDAIGADHRR
  
Inhibitor
Name:
BDBM119812
Synonyms:
US20240034730, Compound ASLAN003 | US8691852, 20
Type:
Small organic molecule
Emp. Form.:
C19H14F2N2O3
Mol. Mass.:
356.3229
SMILES:
COc1cccc(c1)-c1cc(F)c(Nc2ncccc2C(O)=O)c(F)c1
Structure:
Search PDB for entries with ligand similarity: