Reaction Details Report a problem with these data
Target
Transporter
Ligand
BDBM50324245
Substrate
n/a
Meas. Tech.
ChEMBL_649988 (CHEMBL1219686)
Ki
4980±n/a nM
Citation
 Zhang, P; Cyriac, G; Kopajtic, T; Zhao, Y; Javitch, JA; Katz, JL; Newman, AH Structure-activity relationships for a novel series of citalopram (1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile) analogues at monoamine transporters. J Med Chem 53:6112-21 (2010) [PubMed]  Article 
Target
Name:
Transporter
Synonyms:
NE transporter | NET | Norepinephrine transporter(NET)
Type:
Multi-pass membrane protein
Mol. Mass.:
69236.90
Organism:
Rattus norvegicus (rat)
Description:
Q63380
Residue:
617
Sequence:
MLLARMKPQVQPELGGADQLPEQPLRPCKTADLLVVKERNGVQCLLASQDGDAQPRETWGKEIDFLLSVVGFAVDLANVWRFPYLCYKNGGGAFLIPYTLFLIIAGMPLFYMELALGQFNREGAATVWKICPFFKGVGYAVILIALYVGFYYNVIIAWSLYYLFASFTLNLPWTNCGHAWNSPNCTDPKLLNASVLGDHTKYSKYKFTPAAEFYERGVLHLHESSGIHDIGLPQWQLLLCLMVVIVVLYFSLWKGVKTSGKVVWITATLPYFVLFVLLVHGVTLPGASNGINAYLHIDFYRLKEATVWIDAATQIFFSLGAGFGVLIAFASYNKFDNNCYRDALLTSTINCVTSFISGFAIFSILGYMAHEHKVKIEDVATEGAGLVFVLYPEAISTLSGSTFWAVLFFLMLLALGLDSSMGGMEAVITGLADDFQVLKRHRKLFTCAVTLGTFLLAMFCITKGGIYVLTLLDTFAAGTSILFAVLMEAIGVSWFYGVDRFSNDIQQMMGFKPGLYWRLCWKFVSPAFLLFVVVVSIINFKPLTYDDYVYPPWANWVGWGIALSSMILVPAYVIYKFFSIRGSLWERVAYGITPENEHHLVAQRDVRQFQLRHWLAI
  
Inhibitor
Name:
BDBM50324245
Synonyms:
(R)-(-)-3-(5-Cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-amine | CHEMBL1214844
Type:
Small organic molecule
Emp. Form.:
C28H27FN2O
Mol. Mass.:
426.5252
SMILES:
CN(C)CCC[C@@]1(OCc2cc(\C=C\c3ccc(cc3)C#N)ccc12)c1ccc(F)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: