Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50261141 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_1695590 |
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IC50 | >20000±n/a nM |
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Citation | Wu, YJ; Guernon, J; McClure, A; Luo, G; Rajamani, R; Ng, A; Easton, A; Newton, A; Bourin, C; Parker, D; Mosure, K; Barnaby, O; Soars, MG; Knox, RJ; Matchett, M; Pieschl, R; Herrington, J; Chen, P; Sivarao, DV; Bristow, LJ; Meanwell, NA; Bronson, J; Olson, R; Thompson, LA; Dzierba, C Discovery of non-zwitterionic aryl sulfonamides as Na Bioorg Med Chem25:5490-5505 (2017) [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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BDBM50261141 |
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n/a |
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Name | BDBM50261141 |
Synonyms: | CHEMBL4100176 |
Type | Small organic molecule |
Emp. Form. | C17H20ClFN4O3S2 |
Mol. Mass. | 446.947 |
SMILES | [#6]-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#6](-[#6]-[#7]-c2cc(F)c(cc2Cl)S(=O)(=O)[#7]-c2nccs2)-[#6]-[#6]-1 |
Structure |
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