Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM16094
Substrate
BDBM14700
Meas. Tech.
DHODH Inhibition Assay
pH
8±n/a
Temperature
298.15±n/a K
Ki
17700±n/a nM
IC50
153500±13200 nM
Km
13000±n/a nM
Citation
Heikkila, T; Thirumalairajan, S; Davies, M; Parsons, MR; McConkey, AG; Fishwick, CW; Johnson, AP The first de novo designed inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase. Bioorg Med Chem Lett 16:88-92 (2006) [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:
BDBM16094
Synonyms:
2-[(4-phenylbenzene)amido]benzoic acid | 2-[(biphenyl-4-ylcarbonyl)amino]benzoic acid | Inhibitor 2
Type:
Small organic molecule
Emp. Form.:
C20H15NO3
Mol. Mass.:
317.338
SMILES:
OC(=O)c1ccccc1NC(=O)c1ccc(cc1)-c1ccccc1