Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM477579
Substrate
n/a
Meas. Tech.
ChEMBL_1981811 (CHEMBL4615073)
IC50
32±n/a nM
Citation
Popova, G; Ladds, MJGW; Johansson, L; Saleh, A; Larsson, J; Sandberg, L; Sahlberg, SH; Qian, W; Gullberg, H; Garg, N; Gustavsson, AL; Haraldsson, M; Lane, D; Yngve, U; Lain, S Optimization of Tetrahydroindazoles as Inhibitors of Human Dihydroorotate Dehydrogenase and Evaluation of Their Activity and In Vitro Metabolic Stability. J Med Chem 63:3915-3934 (2020) [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:
BDBM477579
Synonyms:
N-(1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl)-4,5,6,7-tetrahydrobenzo[c]isoxazole-3-carboxamide | US10889564, Example 8
Type:
Small organic molecule
Emp. Form.:
C21H21FN4O2
Mol. Mass.:
380.4154
SMILES:
Fc1ccccc1-n1ncc2C(CCCc12)NC(=O)c1onc2CCCCc12