Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM530445
Substrate
n/a
Meas. Tech.
DHODH enzymatic assay
IC50
0.71±n/a nM
Citation
 Lindsey, D; Scott, K; Zhuming, Z DIHYDROOROTATE DEHYDROGENASE INHIBITORS WIPO 0:0 (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:
BDBM530445
Synonyms:
2-(5-Chloro-3-methyl-1H-pyrazol-4-yl)-7-fluoro-6-(5-(2-hydroxypropan-2-yl)-1- methyl-1H-1,2,4-triazol-3-yl)-4-isopropylisoquinolin-1(2H)-one. | WO2022070068, Example 17
Type:
Small organic molecule
Emp. Form.:
C22H24ClFN6O2
Mol. Mass.:
458.916
SMILES:
CC(C)c1cn(-c2c(C)n[nH]c2Cl)c(=O)c2cc(F)c(cc12)-c1nc(n(C)n1)C(C)(C)O |(-3.83,4.14,;-2.5,3.37,;-1.17,4.14,;-2.5,1.83,;-3.83,1.06,;-3.83,-.48,;-5.17,-1.25,;-5.33,-2.78,;-4.18,-3.81,;-6.83,-3.1,;-7.6,-1.77,;-6.57,-.62,;-6.89,.88,;-2.5,-1.25,;-2.5,-2.79,;-1.17,-.48,;.17,-1.25,;1.5,-.48,;2.83,-1.25,;1.5,1.06,;.17,1.83,;-1.17,1.06,;2.83,1.83,;3.16,3.34,;4.69,3.5,;5.31,2.09,;6.82,1.77,;4.17,1.06,;5.46,4.83,;7,4.83,;3.92,4.83,;4.69,6.17,)|
Structure:
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