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Ligand

Nameduloxetine
Molecular formulaC18H19NOS
IUPAC name(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
Molecular weight297.416
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.3
SynonymsLS-172322
MolPort-003-847-038
(3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine
PDSP1_001385
(S)-Duloxetine
[ Show all ]
Inchi KeyZEUITGRIYCTCEM-KRWDZBQOSA-N
Inchi IDInChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
PubChem CID60835
ChEMBLCHEMBL1175
IUPHAR202
BindingDB84745
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 36
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
4266235-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
4266355-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
4266305-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
4266365-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
4266245-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366
4266315-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
4266195-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
4266165-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
5572395-hydroxytryptamine receptor 4O70528HTR4Cavia porcellus (Guinea pig)388
4266225-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
5572375-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
426620Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
426610Adenosine receptor A2bQ1LZD0ADORA2BBos taurus (Bovine)332
426612Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
557234Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
426626Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
426615Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
557236Alpha-2B adrenergic receptorP30545Adra2bMus musculus (Mouse)450
426625Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
462835Beta-2 adrenergic receptorP10608Adrb2Rattus norvegicus (Rat)418

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