| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50336072 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_718098 (CHEMBL1671551) |
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| IC50 | >5000±n/a nM |
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| Citation |  Huang, C; Moree, WJ; Zamani-Kord, S; Li, BF; Tucci, FC; Malany, S; Wen, J; Wang, H; Hoare, SR; Yang, C; Madan, A; Crowe, PD; Beaton, G Influence of pKa on the biotransformation of indene H1-antihistamines by CYP2D6. Bioorg Med Chem Lett21:947-51 (2011) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 3A4 |
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| 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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| BDBM50336072 |
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| n/a |
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| Name | BDBM50336072 |
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| Synonyms: | (R)-3,3,3-trifluoro-N-methyl-N-(2-(3-(1-(pyrazin-2-yl)ethyl)-1H-inden-2-yl)ethyl)propan-1-amine | CHEMBL1669411 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H24F3N3 |
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| Mol. Mass. | 375.4306 |
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| SMILES | C[C@H](C1=C(CCN(C)CCC(F)(F)F)Cc2ccccc12)c1cnccn1 |r,c:2| |
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| Structure | 
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