Reaction Details  Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM50203194
Substrate
n/a
Meas. Tech.
ChEMBL_519008 (CHEMBL942569)
IC50
4000±n/a nM
Citation
 Dong, CK; Patel, V; Yang, JC; Dvorin, JD; Duraisingh, MT; Clardy, J; Wirth, DF Type II NADH dehydrogenase of the respiratory chain of Plasmodium falciparum and its inhibitors. Bioorg Med Chem Lett 19:972-5 (2009) [PubMed]  Article
Target
Name:
Dihydroorotate dehydrogenase (quinone), mitochondrial
Synonyms:
DHOdehase | Dihydroorotate Dehydrogenase (DHODH) | Dihydroorotate dehydrogenase homolog | Dihydroorotate oxidase
Type:
Enzyme
Mol. Mass.:
65581.88
Organism:
Plasmodium falciparum
Description:
His6-tag DHODH was expressed in E. coli.
Residue:
569
Sequence:
MISKLKPQFMFLPKKHILSYCRKDVLNLFEQKFYYTSKRKESNNMKNESLLRLINYNRYYNKIDSNNYYNGGKILSNDRQYIYSPLCEYKKKINDISSYVSVPFKINIRNLGTSNFVNNKKDVLDNDYIYENIKKEKSKHKKIIFLLFVSLFGLYGFFESYNPEFFLYDIFLKFCLKYIDGEICHDLFLLLGKYNILPYDTSNDSIYACTNIKHLDFINPFGVAAGFDKNGVCIDSILKLGFSFIEIGTITPRGQTGNAKPRIFRDVESRSIINSCGFNNMGCDKVTENLILFRKRQEEDKLLSKHIVGVSIGKNKDTVNIVDDLKYCINKIGRYADYIAINVSSPNTPGLRDNQEAGKLKNIILSVKEEIDNLEKNNIMNDESTYNEDNKIVEKKNNFNKNNSHMMKDAKDNFLWFNTTKKKPLVFVKLAPDLNQEQKKEIADVLLETNIDGMIISNTTTQINDIKSFENKKGGVSGAKLKDISTKFICEMYNYTNKQIPIIASGGIFSGLDALEKIEAGASVCQLYSCLVFNGMKSAVQIKRELNHLLYQRGYYNLKEAIGRKHSKS
  
Inhibitor
Name:
BDBM50203194
Synonyms:
1-Hydroxy-2-dodecyl-4(1H)quinoline | 1-hydroxy-2-dodecyl-4(1H)quinolone | 1-hydroxy-2-dodecyl-4-(1H)quinoline | CHEMBL224182
Type:
Small organic molecule
Emp. Form.:
C21H31NO2
Mol. Mass.:
329.4763
SMILES:
CCCCCCCCCCCCc1cc(=O)c2ccccc2n1O
Structure:
Search PDB for entries with ligand similarity: