Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50181559 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_330719 (CHEMBL861912) |
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IC50 | 1000±n/a nM |
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Citation | Tedesco, R; Shaw, AN; Bambal, R; Chai, D; Concha, NO; Darcy, MG; Dhanak, D; Fitch, DM; Gates, A; Gerhardt, WG; Halegoua, DL; Han, C; Hofmann, GA; Johnston, VK; Kaura, AC; Liu, N; Keenan, RM; Lin-Goerke, J; Sarisky, RT; Wiggall, KJ; Zimmerman, MN; Duffy, KJ 3-(1,1-dioxo-2H-(1,2,4)-benzothiadiazin-3-yl)-4-hydroxy-2(1H)-quinolinones, potent inhibitors of hepatitis C virus RNA-dependent RNA polymerase. J Med Chem49:971-83 (2006) [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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BDBM50181559 |
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n/a |
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Name | BDBM50181559 |
Synonyms: | 1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BENZOTHIADIAZIN-3-YL)-6-FLUORO-4-HYDROXYQUINOLIN-2(1H)-ONE | 1-(2-Cyclopropyl-ethyl)-3-(1,1-dioxo-1,4-dihydro-1lambda*6*-benzo[1,2,4]thiadiazin-3-yl)-6-fluoro-4-hydroxy-1H-quinolin-2-one | 1-(2-cyclopropylethyl)-3-(1,1-dioxo-1,4-dihydrobenzo[1,2,4]-thiadiazin-3-yl) -6-fluoro-4-hydroxy-1-quinolin-2-one | CHEMBL372357 |
Type | Small organic molecule |
Emp. Form. | C21H18FN3O4S |
Mol. Mass. | 427.449 |
SMILES | Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CCC2CC2)c2ccc(F)cc12 |t:3| |
Structure |
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