Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50459192 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1765746 (CHEMBL4200993) |
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IC50 | 3300±n/a nM |
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Citation | Bardiot, D; Koukni, M; Smets, W; Carlens, G; McNaughton, M; Kaptein, S; Dallmeier, K; Chaltin, P; Neyts, J; Marchand, A Discovery of Indole Derivatives as Novel and Potent Dengue Virus Inhibitors. J Med Chem61:8390-8401 (2018) [PubMed] Article |
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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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BDBM50459192 |
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n/a |
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Name | BDBM50459192 |
Synonyms: | CHEMBL4205724 |
Type | Small organic molecule |
Emp. Form. | C22H19N3O2 |
Mol. Mass. | 357.4052 |
SMILES | COc1cncc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 |
Structure |
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