Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50454641 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1753000 (CHEMBL4187760) |
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IC50 | >10000±n/a nM |
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Citation | Pieters, S; McGowan, D; Herschke, F; Pauwels, F; Stoops, B; Last, S; Embrechts, W; Scholliers, A; Mostmans, W; Van Dijck, K; Van Schoubroeck, B; Thoné, T; De Pooter, D; Fanning, G; Rosauro, ML; Khamlichi, MD; Houpis, I; Arnoult, E; Jonckers, THM; Raboisson, P Discovery of selective 2,4-diaminoquinazoline toll-like receptor 7 (TLR 7) agonists. Bioorg Med Chem Lett28:711-719 (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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BDBM50454641 |
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n/a |
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Name | BDBM50454641 |
Synonyms: | CHEMBL4206363 |
Type | Small organic molecule |
Emp. Form. | C18H21N5O |
Mol. Mass. | 323.3922 |
SMILES | CCCCNc1nc(N)nc2cccc(OCc3cccnc3)c12 |
Structure |
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