Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM29024
Substrate
BDBM14700
Meas. Tech.
DHODH Inhibition Assay
pH
8±n/a
Temperature
298.15±n/a K
Ki
11000±n/a nM
IC50
92500±n/a nM
Km
13400±n/a nM
Citation
Davies, M; Heikkilä, T; McConkey, GA; Fishwick, CW; Parsons, MR; Johnson, AP Structure-based design, synthesis, and characterization of inhibitors of human and Plasmodium falciparum dihydroorotate dehydrogenases. J Med Chem 52:2683-93 (2009) [PubMed] Article
Target
Name:
Dihydroorotate dehydrogenase (quinone), mitochondrial
Synonyms:
DHOdehase | Dihydroorotate Dehydrogenase (DHODH) | Dihydroorotate dehydrogenase homolog | Dihydroorotate oxidase | PYRD_PLAF7
Type:
Enzyme
Mol. Mass.:
65581.88
Organism:
Plasmodium falciparum (isolate 3D7)
Description:
Q08210
Residue:
569
Sequence:
MISKLKPQFMFLPKKHILSYCRKDVLNLFEQKFYYTSKRKESNNMKNESLLRLINYNRYYNKIDSNNYYNGGKILSNDRQYIYSPLCEYKKKINDISSYVSVPFKINIRNLGTSNFVNNKKDVLDNDYIYENIKKEKSKHKKIIFLLFVSLFGLYGFFESYNPEFFLYDIFLKFCLKYIDGEICHDLFLLLGKYNILPYDTSNDSIYACTNIKHLDFINPFGVAAGFDKNGVCIDSILKLGFSFIEIGTITPRGQTGNAKPRIFRDVESRSIINSCGFNNMGCDKVTENLILFRKRQEEDKLLSKHIVGVSIGKNKDTVNIVDDLKYCINKIGRYADYIAINVSSPNTPGLRDNQEAGKLKNIILSVKEEIDNLEKNNIMNDESTYNEDNKIVEKKNNFNKNNSHMMKDAKDNFLWFNTTKKKPLVFVKLAPDLNQEQKKEIADVLLETNIDGMIISNTTTQINDIKSFENKKGGVSGAKLKDISTKFICEMYNYTNKQIPIIASGGIFSGLDALEKIEAGASVCQLYSCLVFNGMKSAVQIKRELNHLLYQRGYYNLKEAIGRKHSKS
Inhibitor
Name:
BDBM29024
Synonyms:
CHEMBL141732 | cyanocyclopropylpropenamide, 4
Type:
Small organic molecule
Emp. Form.:
C14H11F3N2O2
Mol. Mass.:
296.2445
SMILES:
FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1