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Target
Cytochrome P450 2D6
Ligand
BDBM50249405
Substrate
n/a
Meas. Tech.
ChEBML_1679903
IC50
>30000±n/a nM
Citation
 Melancon, BJ; Wood, MR; Noetzel, MJ; Nance, KD; Engelberg, EM; Han, C; Lamsal, A; Chang, S; Cho, HP; Byers, FW; Bubser, M; Jones, CK; Niswender, CM; Wood, MW; Engers, DW; Wu, D; Brandon, NJ; Duggan, ME; Conn, PJ; Bridges, TM; Lindsley, CW Optimization of M Bioorg Med Chem Lett 27:2296-2301 (2017) [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:
BDBM50249405
Synonyms:
CHEMBL4102040
Type:
Small organic molecule
Emp. Form.:
C21H18FN5OS
Mol. Mass.:
407.464
SMILES:
Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3ccc(F)nc3)c(N)c2c1C
Structure:
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