Reaction Details  Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM120351
Substrate
n/a
Meas. Tech.
Enzymatic Assays
IC50
35±n/a nM
Citation
 Bastos, C; Booker, ML; Celatka, CA; Clardy, JC; Cortese, J; Patel, VP; Skerlj, R; Wiegand, RC; Wirth, DF Small molecule inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase US Patent  US8703811 Publication Date 4/22/2014
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:
BDBM120351
Synonyms:
US8703811, 93
Type:
Small organic molecule
Emp. Form.:
C20H17N3OS
Mol. Mass.:
347.433
SMILES:
Cc1nc2cc3ccccc3cc2n1-c1ccc(s1)C(=O)NC1CC1
Structure:
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