| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2D6 |
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| Ligand | BDBM223287 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1876813 (CHEMBL4378207) |
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| IC50 | >30000±n/a nM |
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| Citation |  Munck Af Rosenschöld, M; Johannesson, P; Nikitidis, A; Tyrchan, C; Chang, HF; Rönn, R; Chapman, D; Ullah, V; Nikitidis, G; Glader, P; Käck, H; Bonn, B; Wågberg, F; Björkstrand, E; Andersson, U; Swedin, L; Rohman, M; Andreasson, T; Bergström, EL; Jiang, F; Zhou, XH; Lundqvist, AJ; Malmberg, A; Ek, M; Gordon, E; Pettersen, A; Ripa, L; Davis, AM Discovery of the Oral Leukotriene C4 Synthase Inhibitor (1 J Med Chem62:7769-7787 (2019) [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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| BDBM223287 |
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| n/a |
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| Name | BDBM223287 |
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| Synonyms: | (1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic acid | US20160326143, 62 | US9657001, 62 |
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| Type | Small Organic Molecule |
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| Emp. Form. | C20H19ClF3N3O4 |
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| Mol. Mass. | 457.831 |
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| SMILES | COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(Cl)c(F)cc1F |
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| Structure | 
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