Reaction Details Report a problem with these data
Target
Transporter
Ligand
BDBM50032379
Substrate
n/a
Meas. Tech.
ChEMBL_493243 (CHEMBL948473)
IC50
30±n/a nM
Citation
Dyck, B; Tamiya, J; Jovic, F; Pick, RR; Bradbury, MJ; O'Brien, J; Wen, J; Johns, M; Madan, A; Fleck, BA; Foster, AC; Li, B; Zhang, M; Tran, JA; Vickers, T; Grey, J; Saunders, J; Chen, C Characterization of thien-2-yl 1S,2R-milnacipran analogues as potent norepinephrine/serotonin transporter inhibitors for the treatment of neuropathic pain. J Med Chem 51:7265-72 (2009) [PubMed] Article
More Info.:
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:
BDBM50032379
Synonyms:
(1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropanecarboxamide | (1S,2R)-2-Aminomethyl-1-phenyl-cyclopropanecarboxylic acid diethylamide | CHEMBL99946 | LEVOMILNACIPRAN
Type:
Small organic molecule
Emp. Form.:
C15H22N2O
Mol. Mass.:
246.348
SMILES:
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1