Reaction Details
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Target
Cytochrome P450 2D6
Ligand
BDBM50262279
Substrate
n/a
Meas. Tech.
ChEMBL_514340 (CHEMBL967954)
Ki
660±n/a nM
Citation
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More Info.:
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:
BDBM50262279
Synonyms:
(2S,3S)-N-((6-methoxy-3-methyl-3-(trifluoromethyl)-1,3-dihydroisobenzofuran-5-yl)methyl)-2-phenylpiperidin-3-amine | CHEMBL468830 | R/S-(2S,3S)-3-(6-Methoxy-3-methyl-3-trifluoromethyl-1,3-dihydroisobenzofuran-5-yl)methylamino-2-phenylpiperidine | R/S-(2S,3S)-N-((6-methoxy-3-methyl-3-(trifluoromethyl)-1,3-dihydroisobenzofuran-5-yl)methyl)-2-phenylpiperidin-3-amine
Type:
Small organic molecule
Emp. Form.:
C23H27F3N2O2
Mol. Mass.:
420.4679
SMILES:
COc1cc2COC(C)(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F |r|