Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM651960
Substrate
n/a
Meas. Tech.
DHODH Kinetic Analysis
IC50
61.0±n/a nM
Citation
 Phillips, M; Palmer, M; Charman, SA; Watts, KS; Gerasyuto, AI; Krilov, G Anti-malarial agents US Patent  US11903936 Publication Date 2/20/2024 
Target
Name:
Dihydroorotate dehydrogenase (quinone), mitochondrial
Synonyms:
n/a
Type:
Protein
Mol. Mass.:
62960.21
Organism:
malaria parasite P. vivax
Description:
A0A1G4H0K4
Residue:
572
Sequence:
MLRHSCLREKGNLIGGSLLRGTSAQLRAAGGGTFRSFHSYRSFCSFCIFRRANKADANWYGCFPGHVAGGATCGPLRGDCAERHKLMAHVRRFSGESTRAKGGDKREGDIEGNRTNGSDKTKQLEEEMKKLNEQIAREKGNHKKALLFIFTCVVALYMYFESYDPEFFLYDVFLKMLLKYVDGETCHELFLLMGKYKLLPYDTGKDNIYSCSEIKGLNFINPFGVAAGFDKNGVCIDGILKLGFSFIEIGTITPKAQKGNERPRIFRDLETRSIINSCGFNNMGCDEVCKNLKRFRERQKTDKLLQRHLVGVSLGKNKDSPDILQDLSYCIGKIGRYADYIAINVSSPNTPGLRDHQKGERLHGIIQRVKEEVAKLDGGGAPLGGATTGGAAMGGATTGEAVVGKAPPDEAATGGEPWANTTKRRPLIFVKLAPDLEEGERKSIANVLLNAEVDGMIICNTTTQKFNIKSFEDKKGGVSGEKLKGVSTHMISQMYNYTNGKIPIIASGGIFTGEDALEKIEAGASVCQLYSCLVFNGMKAAVRIKRELDHLLYQRGYYKLGDAVGRAHRRAA
  
Inhibitor
Name:
BDBM651960
Synonyms:
N-(1-(1H-1,2,4-triazol-3-yl) ethyl)-4-(3-fluoro-4-(trifluoromethyl)benzyl)-3-methyl-1H-pyrrole-2-carboxamide | US11903936, Compound 5
Type:
Small organic molecule
Emp. Form.:
C18H17F4N5O
Mol. Mass.:
395.3541
SMILES:
CC(NC(=O)c1[nH]cc(Cc2ccc(c(F)c2)C(F)(F)F)c1C)c1nc[nH]n1
Structure:
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