| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4/3A5 |
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| Ligand | BDBM50485466 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_830585 (CHEMBL2061440) |
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| IC50 | 1400±n/a nM |
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| Citation |  Keenan, M; Abbott, MJ; Alexander, PW; Armstrong, T; Best, WM; Berven, B; Botero, A; Chaplin, JH; Charman, SA; Chatelain, E; von Geldern, TW; Kerfoot, M; Khong, A; Nguyen, T; McManus, JD; Morizzi, J; Ryan, E; Scandale, I; Thompson, RA; Wang, SZ; White, KL Analogues of fenarimol are potent inhibitors of Trypanosoma cruzi and are efficacious in a murine model of Chagas disease. J Med Chem55:4189-204 (2012) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 3A4/3A5 |
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| Name: | Cytochrome P450 3A4/3A5 |
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| Synonyms: | CYP3A-M |
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| Type: | PROTEIN |
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| Mol. Mass.: | n/a |
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| Description: | n/a |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Cytochrome P450 3A4 |
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| Synonyms: | Albendazole monooxygenase | Albendazole sulfoxidase | CP3A4_HUMAN | CYP3A3 | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 (CYP3A4) | Cytochrome P450 HLp | Nifedipine oxidase | Quinine 3-monooxygenase | Taurochenodeoxycholate 6-alpha-hydroxylase |
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| Type: | Enzyme |
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| Mol. Mass.: | 57349.57 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 503 |
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| Sequence: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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| Component 2 |
| Name: | Cytochrome P450 3A5 |
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| Synonyms: | CP3A5_HUMAN | CYP3A5 | Cytochrome P450 3A5 | Cytochrome P450 3A5 (CYP3A5) |
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| Type: | Protein |
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| Mol. Mass.: | 57118.00 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P20815 |
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| Residue: | 502 |
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| Sequence: | MDLIPNLAVETWLLLAVSLVLLYLYGTRTHGLFKRLGIPGPTPLPLLGNVLSYRQGLWKF
DTECYKKYGKMWGTYEGQLPVLAITDPDVIRTVLVKECYSVFTNRRSLGPVGFMKSAISL
AEDEEWKRIRSLLSPTFTSGKLKEMFPIIAQYGDVLVRNLRREAEKGKPVTLKDIFGAYS
MDVITGTSFGVNIDSLNNPQDPFVESTKKFLKFGFLDPLFLSIILFPFLTPVFEALNVSL
FPKDTINFLSKSVNRMKKSRLNDKQKHRLDFLQLMIDSQNSKETESHKALSDLELAAQSI
IFIFAGYETTSSVLSFTLYELATHPDVQQKLQKEIDAVLPNKAPPTYDAVVQMEYLDMVV
NETLRLFPVAIRLERTCKKDVEINGVFIPKGSMVVIPTYALHHDPKYWTEPEEFRPERFS
KKKDSIDPYIYTPFGTGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLDTQG
LLQPEKPIVLKVDSRDGTLSGE
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| BDBM50485466 |
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| n/a |
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| Name | BDBM50485466 |
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| Synonyms: | CHEMBL1863004 | DNDI1335913 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H20F3NO2 |
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| Mol. Mass. | 387.3949 |
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| SMILES | CC(C)Oc1ccc(cc1)C(O)(c1ccc(cc1)C(F)(F)F)c1cccnc1 |
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| Structure | 
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