Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM320017 |
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Substrate/Competitor | n/a |
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Meas. Tech. | CYP Inhibition Assay |
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IC50 | >20000±n/a nM |
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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 |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 2C9 |
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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
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BDBM320017 |
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n/a |
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Name | BDBM320017 |
Synonyms: | Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-{[3- hydroxybutan-2- yl]oxy}-N-{(1R)-1- [2-(trifluoromethyl) pyrimidin-5-yl]ethyl} benzamide | US10174016, Example 184 | US10174016, Example 185 | US10174016, Example 187 | US10174016, Example 188 | US10202369, Example 188 | US10472354, Example 188 |
Type | Small organic molecule |
Emp. Form. | C21H20ClF3N4O3S |
Mol. Mass. | 500.922 |
SMILES | CC(O)C(C)Oc1cc(cc(c1)-c1ncc(Cl)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| |
Structure |
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