Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50177015 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1582656 (CHEMBL3817097) |
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IC50 | 2200±n/a nM |
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Citation | Zheng, Y; Zhuang, L; Fan, KY; Tice, CM; Zhao, W; Dong, C; Lotesta, SD; Leftheris, K; Lindblom, PR; Liu, Z; Shimada, J; Noto, PB; Meng, S; Hardy, A; Howard, L; Krosky, P; Guo, J; Lipinski, K; Kandpal, G; Bukhtiyarov, Y; Zhao, Y; Lala, D; Van Orden, R; Zhou, J; Chen, G; Wu, Z; McKeever, BM; McGeehan, GM; Gregg, RE; Claremon, DA; Singh, SB Discovery of a Novel, Orally Efficacious Liver X Receptor (LXR)ß Agonist. J Med Chem59:3264-71 (2016) [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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BDBM50177015 |
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n/a |
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Name | BDBM50177015 |
Synonyms: | CHEMBL3814206 | US10144715, Compound 19-1 |
Type | Small organic molecule |
Emp. Form. | C21H27F3N4O4S |
Mol. Mass. | 488.524 |
SMILES | CC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(CO)c(c1)S(C)(=O)=O |r| |
Structure |
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