Reaction Details |
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Target | Cytochrome P450 2D6 |
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Ligand | BDBM50297318 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_583050 (CHEMBL1056549) |
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IC50 | 4700±n/a nM |
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Citation | Le Bourdonnec, B; Windh, RT; Leister, LK; Zhou, QJ; Ajello, CW; Gu, M; Chu, GH; Tuthill, PA; Barker, WM; Koblish, M; Wiant, DD; Graczyk, TM; Belanger, S; Cassel, JA; Feschenko, MS; Brogdon, BL; Smith, SA; Derelanko, MJ; Kutz, S; Little, PJ; DeHaven, RN; DeHaven-Hudkins, DL; Dolle, RE Spirocyclic delta opioid receptor agonists for the treatment of pain: discovery of N,N-diethyl-3-hydroxy-4-(spiro[chromene-2,4'-piperidine]-4-yl) benzamide (ADL5747). J Med Chem52:5685-702 (2009) [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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BDBM50297318 |
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n/a |
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Name | BDBM50297318 |
Synonyms: | CHEMBL564922 | Pyrrolidin-1-yl(4-(spiro[chromene-2,4'-piperidine]-4-yl)phenyl)methanone |
Type | Small organic molecule |
Emp. Form. | C24H26N2O2 |
Mol. Mass. | 374.4754 |
SMILES | O=C(N1CCCC1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:15| |
Structure |
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