Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM16095
Substrate
BDBM14700
Meas. Tech.
DHODH Inhibition Assay
pH
8±n/a
Temperature
298.15±n/a K
Ki
10800±n/a nM
IC50
93400±6400 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:
BDBM16095
Synonyms:
2-[(6-bromonaphthalene-2-)(methyl)amido]benzoic acid | 2-{[(6-bromonaphthalen-2-yl)carbonyl](methyl)amino}benzoic acid | Inhibitor 3
Type:
Small organic molecule
Emp. Form.:
C19H14BrNO3
Mol. Mass.:
384.223
SMILES:
CN(C(=O)c1ccc2cc(Br)ccc2c1)c1ccccc1C(O)=O