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Target
Cytochrome P450 2D6
Ligand
BDBM50262281
Substrate
n/a
Meas. Tech.
ChEMBL_514340 (CHEMBL967954)
Ki
4250±n/a nM
Citation
 Shishido, Y; Wakabayashi, H; Koike, H; Ueno, N; Nukui, S; Yamagishi, T; Murata, Y; Naganeo, F; Mizutani, M; Shimada, K; Fujiwara, Y; Sakakibara, A; Suga, O; Kusano, R; Ueda, S; Kanai, Y; Tsuchiya, M; Satake, K Discovery and stereoselective synthesis of the novel isochroman neurokinin-1 receptor antagonist 'CJ-17,493'. Bioorg Med Chem 16:7193-205 (2008) [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:
BDBM50262281
Synonyms:
(2S,3S)-3-[2-Methoxy-5-(2,2,2-trifluoroethyl)benzylamino]-2-phenylpiperidine | CHEMBL469176
Type:
Small organic molecule
Emp. Form.:
C21H25F3N2O
Mol. Mass.:
378.4312
SMILES:
COc1ccc(CC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 |r|
Structure:
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