Reaction Details  Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50101586
Substrate
n/a
Meas. Tech.
ChEMBL_1462357 (CHEMBL3395551)
IC50
>30000±n/a nM
Citation
 Henderson, JA; Bilimoria, D; Bubenik, M; Cadilhac, C; Cottrell, KM; Dietrich, E; Denis, F; Ewing, N; Falardeau, G; Giroux, S; Grey, R; L'Heureux, L; Liu, B; Mani, N; Morris, M; Nicolas, O; Pereira, OZ; Poisson, C; Govinda Rao, B; Reddy, TJ; Selliah, S; Shawgo, RS; Vaillancourt, L; Wang, J; Yannopoulos, CG; Chauret, N; Berlioz-Seux, F; Chan, LC; Das, SK; Grillot, AL; Bennani, YL; Maxwell, JP Benzimidazole-containing HCV NS5A inhibitors: effect of 4-substituted pyrrolidines in balancing genotype 1a and 1b potency. Bioorg Med Chem Lett 25:944-7 (2015) [PubMed]  Article
Target
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:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR
  
Inhibitor
Name:
BDBM50101586
Synonyms:
CHEMBL3394868
Type:
Small organic molecule
Emp. Form.:
C46H56N8O6
Mol. Mass.:
816.9868
SMILES:
COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc2[nH]c(nc2c1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
Structure:
Search PDB for entries with ligand similarity: