| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2D6 |
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| Ligand | BDBM50314388 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_624563 (CHEMBL1110612) |
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| IC50 | 35700±n/a nM |
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| Citation |  Bao, J; Lu, H; Morriello, GJ; Carlson, EJ; Wheeldon, A; Chicchi, GG; Kurtz, MM; Tsao, KL; Zheng, S; Tong, X; Mills, SG; DeVita, RJ Tetrahydroindolizinone NK1 antagonists. Bioorg Med Chem Lett20:2354-8 (2010) [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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| BDBM50314388 |
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| n/a |
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| Name | BDBM50314388 |
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| Synonyms: | (1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-7-(1-tert-butyl-1,2,3,6-tetrahydropyridin-4-yl)-1-(4-fluorophenyl)-2,3,8,8a-tetrahydroindolizin-5(1H)-one | CHEMBL1089270 |
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| Type | Small organic molecule |
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| Emp. Form. | C33H35F7N2O2 |
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| Mol. Mass. | 624.632 |
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| SMILES | C[C@@H](O[C@H]1CN2C(CC(=CC2=O)C2=CCN(CC2)C(C)(C)C)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,c:8,t:13| |
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| Structure | 
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