Reaction Details  Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50379156
Substrate
n/a
Meas. Tech.
ChEMBL_809873 (CHEMBL2014810)
IC50
>10000±n/a nM
Citation
 Skerlj, RT; Bastos, CM; Booker, ML; Kramer, ML; Barker, RH; Celatka, CA; Munoz, B; Sidhu, AB; Cortese, JF; Wittlin, S; Papastogiannidis, P; Angulo-Barturen, I; Jimenez-Diaz, MB; Sybertz, E Optimization of Potent Inhibitors of P. falciparum Dihydroorotate Dehydrogenase for the Treatment of Malaria. ACS Med Chem Lett 2:708-713 (2011) [PubMed]  Article
Target
Name:
Cytochrome P450 2C9
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase
Type:
Enzyme
Mol. Mass.:
55636.33
Organism:
Homo sapiens (Human)
Description:
P11712
Residue:
490
Sequence:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50379156
Synonyms:
CHEMBL2012958 | Genz-669178
Type:
Small organic molecule
Emp. Form.:
C17H14N4OS
Mol. Mass.:
322.384
SMILES:
Cc1nc2c(cccc2n1-c1ccc(s1)C(=O)NC1CC1)C#N
Structure:
Search PDB for entries with ligand similarity: