Reaction Details Report a problem with these data
Target
Transporter
Ligand
BDBM50005548
Substrate
n/a
Meas. Tech.
ChEBML_193336
Ki
3.8±n/a nM
Citation
 Maryanoff, BE; McComsey, DF; Gardocki, JF; Shank, RP; Costanzo, MJ; Nortey, SO; Schneider, CR; Setler, PE Pyrroloisoquinoline antidepressants. 2. In-depth exploration of structure-activity relationships. J Med Chem 30:1433-54 (1987) [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:
BDBM50005548
Synonyms:
(+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinolin-8-ylamine | (+/-)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinolin-8-ylamine | (-)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinolin-8-ylamine | (Nomifensine) 2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinolin-8-ylamine | 2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinolin-8-ylamine | 2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinolin-8-ylamine (Nomifensine) | 2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinolin-8-ylamine(Nomifensine) | 2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine | CHEMBL273575 | NOMIFENSINE | NOMIFENSINE2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinolin-8-ylamine
Type:
Small organic molecule
Emp. Form.:
C16H18N2
Mol. Mass.:
238.3275
SMILES:
CN1CC(c2ccccc2)c2cccc(N)c2C1
Structure:
Search PDB for entries with ligand similarity: