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Ligand

NameWB-4101
Molecular formulaC19H23NO5
IUPAC nameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine
Molecular weight345.395
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.9
SynonymsWB4101
WB 4101
(2-(2',6'-Dimethoxy)phenoxyethylamino)methylbenzo-1,4-dioxane
(2-(2',6'-Dimethoxy)phenoxyethylamino)methylbenzodioxan
613-67-2
[ Show all ]
Inchi KeyGYSZUJHYXCZAKI-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3
PubChem CID5685
ChEMBLCHEMBL25554
IUPHAR499
BindingDB69602
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: 17
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1085945-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
1085985-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1085995-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
108593Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
108595Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
108602Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
108591Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
108592Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
108601Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
108603Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
108597Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450
108607Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
108606Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
108600Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
108604D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
108596D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
108605D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446

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