Reaction Details Report a problem with these data
Target
Transporter
Ligand
BDBM50005247
Substrate
n/a
Meas. Tech.
ChEMBL_142949 (CHEMBL750801)
IC50
266±n/a nM
Citation
 Parker, MA; Marona-Lewicka, D; Kurrasch, D; Shulgin, AT; Nichols, DE Synthesis and pharmacological evaluation of ring-methylated derivatives of 3,4-(methylenedioxy)amphetamine (MDA). J Med Chem 41:1001-5 (1998) [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:
BDBM50005247
Synonyms:
(+/-)2-Benzo[1,3]dioxol-5-yl-1-methyl-ethylamine | (-)2-Benzo[1,3]dioxol-5-yl-1-methyl-ethylamine | (R)-(-)-2-Benzo[1,3]dioxol-5-yl-1-methyl-ethylamine | (S)-(+)-2-Benzo[1,3]dioxol-5-yl-1-methyl-ethylamine | 2-Benzo[1,3]dioxol-5-yl-1-methyl-ethylamine | 2-Benzo[1,3]dioxol-5-yl-1-methyl-ethylamine((R)-(-)-MDA) | 3,4-methylenedioxyamphetamine | CHEMBL6731 | MDA | MDA, (R,S) | MDA,R(-) | Tenamfetamine | methylenedioxyamphetamine
Type:
Small organic molecule
Emp. Form.:
C10H13NO2
Mol. Mass.:
179.2157
SMILES:
CC(N)Cc1ccc2OCOc2c1
Structure:
Search PDB for entries with ligand similarity: