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Target
Cytochrome P450 2D6
Ligand
BDBM50116806
Substrate
n/a
Meas. Tech.
ChEMBL_343532 (CHEMBL860702)
IC50
1210±n/a nM
Citation
 de Graaf, C; Oostenbrink, C; Keizers, PH; van der Wijst, T; Jongejan, A; Vermeulen, NP Catalytic site prediction and virtual screening of cytochrome P450 2D6 substrates by consideration of water and rescoring in automated docking. J Med Chem 49:2417-30 (2006) [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:
BDBM50116806
Synonyms:
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-phenyl-propyl)-piperidine | 4-{2-[bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-phenyl-propyl)-piperazin-1-ium | CHEMBL433138 | GB-12819
Type:
Small organic molecule
Emp. Form.:
C29H33F2NO
Mol. Mass.:
449.5752
SMILES:
Fc1ccc(cc1)C(OCCN1CCC(CCCc2ccccc2)CC1)c1ccc(F)cc1
Structure:
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