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Target
Cytochrome P450 2D6
Ligand
BDBM50448108
Substrate
n/a
Meas. Tech.
ChEMBL_1293806 (CHEMBL3123418)
IC50
>10000±n/a nM
Citation
 Zhang, N; Zhang, X; Zhu, J; Turpoff, A; Chen, G; Morrill, C; Huang, S; Lennox, W; Kakarla, R; Liu, R; Li, C; Ren, H; Almstead, N; Venkatraman, S; Njoroge, FG; Gu, Z; Clausen, V; Graci, J; Jung, SP; Zheng, Y; Colacino, JM; Lahser, F; Sheedy, J; Mollin, A; Weetall, M; Nomeir, A; Karp, GM Structure-activity relationship (SAR) optimization of 6-(indol-2-yl)pyridine-3-sulfonamides: identification of potent, selective, and orally bioavailable small molecules targeting hepatitis C (HCV) NS4B. J Med Chem 57:2121-35 (2014) [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:
BDBM50448108
Synonyms:
CHEMBL3121694
Type:
Small organic molecule
Emp. Form.:
C22H15F5N6O2S
Mol. Mass.:
522.451
SMILES:
C[C@H](NS(=O)(=O)c1ccc(nc1)-c1c(C#N)c2cc(F)c(C)cc2n1-c1ncc(F)cn1)C(F)(F)F |r|
Structure:
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