| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2D6 |
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| Ligand | BDBM50448108 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1293806 (CHEMBL3123418) |
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| IC50 | >10000±n/a nM |
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| Citation |  Zhang, N; Zhang, X; Zhu, J; Turpoff, A; Chen, G; Morrill, C; Huang, S; Lennox, W; Kakarla, R; Liu, R; Li, C; Ren, H; Almstead, N; Venkatraman, S; Njoroge, FG; Gu, Z; Clausen, V; Graci, J; Jung, SP; Zheng, Y; Colacino, JM; Lahser, F; Sheedy, J; Mollin, A; Weetall, M; Nomeir, A; Karp, GM Structure-activity relationship (SAR) optimization of 6-(indol-2-yl)pyridine-3-sulfonamides: identification of potent, selective, and orally bioavailable small molecules targeting hepatitis C (HCV) NS4B. J Med Chem57:2121-35 (2014) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 2D6 |
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| Name: | Cytochrome P450 2D6 |
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| Synonyms: | CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1 |
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| Type: | Protein |
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| Mol. Mass.: | 55774.82 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P10635 |
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| Residue: | 497 |
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| Sequence: | MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQ
LRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVF
LARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDK
AVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKV
LRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVA
DLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVI
HEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHF
LDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGV
FAFLVSPSPYELCAVPR
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| BDBM50448108 |
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| n/a |
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| Name | BDBM50448108 |
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| Synonyms: | CHEMBL3121694 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H15F5N6O2S |
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| Mol. Mass. | 522.451 |
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| SMILES | C[C@H](NS(=O)(=O)c1ccc(nc1)-c1c(C#N)c2cc(F)c(C)cc2n1-c1ncc(F)cn1)C(F)(F)F |r| |
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| Structure | 
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