Reaction Details |
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Target | Cytochrome P450 2D6 |
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Ligand | BDBM50504810 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1816859 (CHEMBL4316433) |
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IC50 | 8400±n/a nM |
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Citation | Staro?, J; Kurczab, R; Warszycki, D; Sata?a, G; Krawczyk, M; Bugno, R; Lenda, T; Popik, P; Hogendorf, AS; Hogendorf, A; Dubiel, K; Mat?oka, M; Moszczy?ski-P?tkowski, R; Pieczykolan, J; Wieczorek, M; Zajdel, P; Bojarski, AJ Virtual screening-driven discovery of dual 5-HT Eur J Med Chem185:0 (2020) [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 |
Synonyms: | CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1 |
Type: | Protein |
Mol. Mass.: | 55774.82 |
Organism: | Homo sapiens (Human) |
Description: | P10635 |
Residue: | 497 |
Sequence: | MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQ
LRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVF
LARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDK
AVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKV
LRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVA
DLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVI
HEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHF
LDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGV
FAFLVSPSPYELCAVPR
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BDBM50504810 |
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n/a |
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Name | BDBM50504810 |
Synonyms: | CHEMBL4442855 |
Type | Small organic molecule |
Emp. Form. | C20H18FN3O2 |
Mol. Mass. | 351.3742 |
SMILES | Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ncc(F)cc23)o1 |
Structure |
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