| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM50575471 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2125319 (CHEMBL4834664) |
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| IC50 | 2000±n/a nM |
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| Citation |  Markert, C; Thoma, G; Srinivas, H; Bollbuck, B; Lüönd, RM; Miltz, W; Wälchli, R; Wolf, R; Hinrichs, J; Bergsdorf, C; Azzaoui, K; Penno, CA; Klein, K; Wack, N; Jäger, P; Hasler, F; Beerli, C; Loetscher, P; Dawson, J; Wieczorek, G; Numao, S; Littlewood-Evans, A; Röhn, TA Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A J Med Chem64:1889-1903 (2021) [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 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 55636.33 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P11712 |
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| Residue: | 490 |
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| Sequence: | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
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| BDBM50575471 |
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| n/a |
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| Name | BDBM50575471 |
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| Synonyms: | CHEMBL4861996 |
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| Type | Small organic molecule |
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| Emp. Form. | C16H16ClN5O |
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| Mol. Mass. | 329.784 |
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| SMILES | C[C@H](CN)n1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1 |r| |
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| Structure | 
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