| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
|---|
| Ligand | BDBM319995 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | CYP Inhibition Assay |
|---|
| IC50 | >20000±n/a nM |
|---|
| Citation |  Davenport, AJ; Bräuer, N; Fischer, OM; Rotgeri, A; Rottmann, A; Neagoe, I; Nagel, J; Godinho-Coelho, A; Klar, J 1,3-thiazol-2-yl substituted benzamides US Patent US10202369 Publication Date 2/12/2019 |
|---|
| 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
|
|
|
|---|
| BDBM319995 |
|---|
| n/a |
|---|
| Name | BDBM319995 |
|---|
| Synonyms: | 3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiazol-2-yl)-N-{(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl}benzamide | US10174016, Example 162 | US10174016, Example 338 | US10202369, Example 339 | US10472354, Example 338 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C22H23F3N4O3S |
|---|
| Mol. Mass. | 480.503 |
|---|
| SMILES | CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| |
|---|
| Structure | 
|
|---|
Search and Browse
