Reaction Details |
![](/images/Email.png) | Report a problem with these data |
Target | Cytochrome P450 2C9 |
---|
Ligand | BDBM50301833 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_598207 (CHEMBL1045201) |
---|
IC50 | 4000±n/a nM |
---|
Citation | Martyn, DC; Beletsky, G; Cortese, JF; Tyndall, E; Liu, H; Fitzgerald, MM; O'Shea, TJ; Liang, B; Clardy, J Synthesis and in vitro DMPK profiling of a 1,2-dioxolane-based library with activity against Plasmodium falciparum. Bioorg Med Chem Lett19:5657-60 (2009) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Cytochrome P450 2C9 |
---|
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: | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
|
|
|
BDBM50301833 |
---|
n/a |
---|
Name | BDBM50301833 |
Synonyms: | 2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(4-(trifluoromethoxy)benzyl)acetamide | CHEMBL565983 |
Type | Small organic molecule |
Emp. Form. | C19H24F3NO4 |
Mol. Mass. | 387.3934 |
SMILES | CC1(CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC2(CCCCC2)OO1 |
Structure |
|