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Target
Cytochrome P450 2D6
Ligand
BDBM50166863
Substrate
n/a
Meas. Tech.
ChEMBL_1572817 (CHEMBL3800747)
IC50
>10000±n/a nM
Citation
 Fabritius, CH; Pesonen, U; Messinger, J; Horvath, R; Salo, H; Galezowski, M; Galek, M; Stefanska, K; Szeremeta-Spisak, J; Olszak-Plachta, M; Buda, A; Adamczyk, J; Król, M; Prusis, P; Sieprawska-Lupa, M; Mikulski, M; Kuokkanen, K; Chapman, H; Obuchowicz, R; Korjamo, T; Jalava, N; Nowak, M 1-Sulfonyl-6-Piperazinyl-7-Azaindoles as potent and pseudo-selective 5-HT6 receptor antagonists. Bioorg Med Chem Lett 26:2610-5 (2016) [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:
BDBM50166863
Synonyms:
CHEMBL3799529
Type:
Small organic molecule
Emp. Form.:
C22H25F3N4O2S
Mol. Mass.:
466.52
SMILES:
CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCNCC1)-c1ccc(cc1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: