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Target
Transporter
Ligand
BDBM50146518
Substrate
n/a
Meas. Tech.
ChEMBL_436135 (CHEMBL905537)
Ki
70±n/a nM
Citation
 Andrés, JI; Alcázar, J; Alonso, JM; Alvarez, RM; Bakker, MH; Biesmans, I; Cid, JM; De Lucas, AI; Drinkenburg, W; Fernández, J; Font, LM; Iturrino, L; Langlois, X; Lenaerts, I; Martínez, S; Megens, AA; Pastor, J; Pullan, S; Steckler, T Tricyclic isoxazolines: identification of R226161 as a potential new antidepressant that combines potent serotonin reuptake inhibition and alpha2-adrenoceptor antagonism. Bioorg Med Chem 15:3649-60 (2007) [PubMed]  Article 
Target
Name:
Transporter
Synonyms:
Monoamine transporters; Norepininephrine & dopamine | Norepinephrine Monoamine transporters
Type:
PROTEIN
Mol. Mass.:
66787.87
Organism:
Rattus norvegicus
Description:
ChEMBL_1463061
Residue:
597
Sequence:
MVTRTRETWGKKIDFLLSVVGFAVDLANVWRFPYLCYKNGGGAFLIPYTLFLIIAGMPLFYMELALGQFNREGAATVWKICPFFKGVGYAVILIALYVGFYYNVIIAWSLYYLFASFTLNLPWTNCGHAWNSPNCTDPKLLNASVLGDHTKYSKYKFTPAAEFYERGVLHLHESSGIHDIGLPQWQLLLCLMVVIVVLYVSLWKGVKTSGKVVWITATLPYFVLFVLLVHGVTLPGASNGINAYLHIDFYRLKEATVWIDAATQIFFSLGAGFGVLIAFASYNKFDNNCYRDALLTSTINCVTSFISGFAIFSILGYMAHEHKVKIEDVATEGAGLVFVLYPEAISTLSGSTFWAVLFFLMLLALGLDSSMGGMEAVITGLADDFQVLKRHRKLFTCAVTLGTFLLAMFCITKGGIYVLTLLDTFAAGTSILFAVLMEAIGVSWFYGVDRFSNDIQQMMGFKPGLYWRLCWKFVSPAFLLFVVVVSIINFKPLTYDDYVYPPWANWVGWGIALSSMILVPAYVIYKFFSIRGSLWERVAYGITPENEHHLLALEIELSSLQSFVITSCPIDPLLSSFLFISCQKTLVFKKSGPAPLI
  
Inhibitor
Name:
BDBM50146518
Synonyms:
(3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]-piperazin-1-ylmethyl}-7,8-dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole | CHEMBL318235 | R-226161 | cis-(+)-7,8-dimethoxy-3-[4-(2-methyl-3-(4-fluoro)phenyl-2(E)-propen-1-yl)piperazin-1-ylmethyl]-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]isoxazole | cis-(+/-)-7,8-dimethoxy-3-[4-(2-methyl-3-(4-fluoro)phenyl-2(E)-propen-1-yl)piperazin-1-ylmethyl]-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]isoxazole | cis-(-)-7,8-dimethoxy-3-[4-(2-methyl-3-(4-fluoro)phenyl-2(E)-propen-1-yl)piperazin-1-ylmethyl]-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]isoxazole
Type:
Small organic molecule
Emp. Form.:
C27H32FN3O4
Mol. Mass.:
481.5591
SMILES:
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30|
Structure:
Search PDB for entries with ligand similarity: