Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM25817 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Inhibition Assay |
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IC50 | 29000±n/a nM |
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Citation | Hoekstra, WJ; Schotzinger, RJ Metalloenzyme inhibitor compounds US Patent US8883797 Publication Date 11/11/2014 |
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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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BDBM25817 |
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n/a |
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Name | BDBM25817 |
Synonyms: | 2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol | CHEMBL106 | Diflucan | Fluconazole | Fluconazole (f) | Fungata | Triflucan | US10221160, Fluconazole | US11247981, Example Fluconazole | US9138393, Fluconazole | US9144538, Fluconazole | US9221791, Fluconazole | US9556143, Fluconazole | cid_3365 |
Type | Small organic molecule |
Emp. Form. | C13H12F2N6O |
Mol. Mass. | 306.2708 |
SMILES | OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F |
Structure |
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