Ki Summary

Reaction Details

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Target

Cytochrome P450 2D6

Ligand

BDBM50061235

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1461435 (CHEMBL3396519)

IC50

>30000±n/a nM

Citation

Giroux, S; Bilimoria, D; Cadilhac, C; Cottrell, KM; Denis, F; Dietrich, E; Ewing, N; Henderson, JA; L'Heureux, L; Mani, N; Morris, M; Nicolas, O; Reddy, TJ; Selliah, S; Shawgo, RS; Xu, J; Chauret, N; Berlioz-Seux, F; Chan, LC; Das, SK; Grillot, AL; Bennani, YL; Maxwell, JP Discovery of thienoimidazole-based HCV NS5A inhibitors. Part 2: non-symmetric inhibitors with potent activity against genotype 1a and 1b. Bioorg Med Chem Lett25:940-3 (2015) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Cytochrome P450 2D6

Name:

Cytochrome P450 2D6

Synonyms:

Type:

Protein

Mol. Mass.:

55774.82

Organism:

Homo sapiens (Human)

Description:

P10635

Residue:

497

Sequence:

MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQ
LRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVF
LARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDK
AVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKV
LRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVA
DLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVI
HEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHF
LDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGV
FAFLVSPSPYELCAVPR

BDBM50061235

n/a

Name

BDBM50061235

Synonyms:

CHEMBL3393730

Type

Small organic molecule

Emp. Form.

C42H52N8O6S2

Mol. Mass.

829.042

SMILES

[H][C@]1(C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C)c1ncc([nH]1)-c1ccc(cc1)-c1ccc(s1)-c1cc2[nH]c(nc2s1)[C@]1([H])C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|

Structure