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Target
Cytochrome P450 2D6
Ligand
BDBM50110188
Substrate
n/a
Meas. Tech.
ChEMBL_1511559 (CHEMBL3607059)
IC50
>30000±n/a nM
Citation
 Zhou, Y; Malosh, C; Conde-Ceide, S; Martínez-Viturro, CM; Alcázar, J; Lavreysen, H; Mackie, C; Bridges, TM; Daniels, JS; Niswender, CM; Jones, CK; Macdonald, GJ; Steckler, T; Conn, PJ; Stauffer, SR; Bartolomé-Nebreda, JM; Lindsley, CW Further optimization of the mGlu5 PAM clinical candidate VU0409551/JNJ-46778212: Progress and challenges towards a back-up compound. Bioorg Med Chem Lett 25:3515-9 (2015) [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:
BDBM50110188
Synonyms:
CHEMBL3605277
Type:
Small organic molecule
Emp. Form.:
C20H16F2N2O3
Mol. Mass.:
370.3494
SMILES:
Fc1ccc(cc1)C(=O)N1CCc2nc(COc3cccc(F)c3)oc2C1
Structure:
Search PDB for entries with ligand similarity: