Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM14699
Substrate
BDBM14700
Meas. Tech.
DHODH Inhibition Assay
pH
8±n/a
Temperature
298.15±n/a K
Ki
20±n/a nM
IC50
160±50 nM
Km
13400±n/a nM
Citation
 Heikkila, T; Ramsey, C; Davies, M; Galtier, C; Stead, AM; Johnson, AP; Fishwick, CW; Boa, AN; McConkey, GA Design and synthesis of potent inhibitors of the malaria parasite dihydroorotate dehydrogenase. J Med Chem 50:186-91 (2007) [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:
BDBM14699
Synonyms:
1,3-diethyl 2-({8-thiatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-4-ylamino}methylidene)propanedioate | 2-(Dibenzothiophen-2-ylaminomethylene)-malonic acid diethyl ester | tricyclic compound 5
Type:
Small organic molecule
Emp. Form.:
C20H19NO4S
Mol. Mass.:
369.434
SMILES:
CCOC(=O)C(C=Nc1ccc2sc3ccccc3c2c1)C(=O)OCC |w:7.7|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM14700
Synonyms:
2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone | 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione | Decylubiquinone
Type:
Ubiquinone analog
Emp. Form.:
C19H30O4
Mol. Mass.:
322.4391
SMILES:
CCCCCCCCC=Cc1c(C)c(O)c(OC)c(OC)c1O |w:9.9|
Structure:
Search PDB for entries with ligand similarity: