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Target
Cytochrome P450 2D6
Ligand
BDBM50441232
Substrate
n/a
Meas. Tech.
ChEMBL_984535 (CHEMBL2433741)
IC50
>30000±n/a nM
Citation
 Turlington, M; Noetzel, MJ; Chun, A; Zhou, Y; Gogliotti, RD; Nguyen, ED; Gregory, KJ; Vinson, PN; Rook, JM; Gogi, KK; Xiang, Z; Bridges, TM; Daniels, JS; Jones, C; Niswender, CM; Meiler, J; Conn, PJ; Lindsley, CW; Stauffer, SR Exploration of allosteric agonism structure-activity relationships within an acetylene series of metabotropic glutamate receptor 5 (mGlu5) positive allosteric modulators (PAMs): discovery of 5-((3-fluorophenyl)ethynyl)-N-(3-methyloxetan-3-yl)picolinamide (ML254). J Med Chem 56:7976-96 (2013) [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:
BDBM50441232
Synonyms:
CHEMBL2431173
Type:
Small organic molecule
Emp. Form.:
C18H15FN2O2
Mol. Mass.:
310.3223
SMILES:
CC1(COC1)NC(=O)c1ccc(cn1)C#Cc1cccc(F)c1
Structure:
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