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Target
Transporter
Ligand
BDBM50084717
Substrate
n/a
Meas. Tech.
ChEBML_144989
Ki
108±n/a nM
Citation
 Enyedy, IJ; Wang, J; Zaman, WA; Johnson, KM; Wang, S Discovery of substituted 3,4-diphenyl-thiazoles as a novel class of monoamine transporter inhibitors through 3-D pharmacophore search using a new pharmacophore model derived from mazindol. Bioorg Med Chem Lett 12:1775-8 (2002) [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:
BDBM50084717
Synonyms:
(+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate | (-)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate | (1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate | (1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate | (1R,2R,3S,5S)-methyl 3-(benzyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate | (1S,2R,3S,5R)-methyl 3-(benzoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate | (2R,3S)-3-Benzoyloxy-2-methoxycarbonyl-8-methyl-8-azonia-bicyclo[3.2.1]octane | (2R,3S)-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | (2R,3S,5R)-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | (2R,3S,8R)-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | (2R,3S,8S)-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | (3S,5R)-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | (3S,8R)-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | (R)-3-Benzoyloxy-2-methoxycarbonyl-8-methyl-8-azonia-bicyclo[3.2.1]octane | (R)-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | (S)-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | (cocaine)3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | 3-(4-Fluoro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester(Cocaine) | 3-Benzoyloxy-6-methyl-6-aza-bicyclo[3.2.2]nonane-4-carboxylic acid methyl ester | 3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid ethyl ester | 3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | 3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester(Cocaine(-)) | 3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester(Cocaine) | 3-Naphthalen-2-yl-8-oxa-bicyclo[3.2.1]oct-2-ene-2-carboxylic acid methyl ester | 4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-phthalazin-1-one | 8-Methyl-8-aza-bicyclo[3.2.1]octane-2,3-dicarboxylic acid 2-methyl ester 3-phenyl ester(cocaine) | CHEMBL120901 | COCAINE | R-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | S-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | methyl 8-methyl-3-phenylcarbonyloxy-(3S)-8-azabicyclo[3.2.1]octane-2-carboxylate | methyl 8-methyl-3-phenylcarbonyloxy-(3S,5R)-8-azabicyclo[3.2.1]octane-2-carboxylate | methyl 8-methyl-3-phenylcarbonyloxy-(5R)-8-azabicyclo[3.2.1]octane-2-carboxylate
Type:
Small organic molecule
Emp. Form.:
C17H21NO4
Mol. Mass.:
303.3529
SMILES:
COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Structure:
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