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Ligand

Namequetiapine
Molecular formulaC21H25N3O2S
IUPAC name2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol
Molecular weight383.51
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.1
SynonymsD08456
DTXSID9023546
HMS3372B05
LS-172170
2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethanol
[ Show all ]
Inchi KeyURKOMYMAXPYINW-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
PubChem CID5002
ChEMBLCHEMBL716
IUPHAR50
BindingDB50095890
DrugBankDB01224

Structure

SDF download

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

Known GPCRs

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Total entries: 61
Page:  / 4 

GLASS IDNameUniProtGeneSpeciesLength
3436545-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
3436665-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
3436515-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
3436715-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
3436655-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
3436585-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
3436725-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366
3436425-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
3436905-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
3436865-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
3436385-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
3436925-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
3436615-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
3436455-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
3436695-hydroxytryptamine receptor 6P31388Htr6Rattus norvegicus (Rat)436
3436435-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
3436755-hydroxytryptamine receptor 7P32304Htr7Mus musculus (Mouse)448
5568885-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
343646Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
343670Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466

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