Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50240277 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1667938 (CHEMBL4017826) |
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IC50 | >50000±n/a nM |
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Citation | Roecker, AJ; Egbertson, M; Jones, KLG; Gomez, R; Kraus, RL; Li, Y; Koser, AJ; Urban, MO; Klein, R; Clements, M; Panigel, J; Daley, C; Wang, J; Finger, EN; Majercak, J; Santarelli, V; Gregan, I; Cato, M; Filzen, T; Jovanovska, A; Wang, YH; Wang, D; Joyce, LA; Sherer, EC; Peng, X; Wang, X; Sun, H; Coleman, PJ; Houghton, AK; Layton, ME Discovery of selective, orally bioavailable, N-linked arylsulfonamide Na Bioorg Med Chem Lett27:2087-2093 (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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BDBM50240277 |
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n/a |
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Name | BDBM50240277 |
Synonyms: | CHEMBL4061793 |
Type | Small organic molecule |
Emp. Form. | C17H20ClFN4O2S2 |
Mol. Mass. | 430.948 |
SMILES | Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1 |
Structure |
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