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Ligand

Namepergolide
Molecular formulaC19H26N2S
IUPAC name(6aR,9R,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Molecular weight314.491
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.2
Synonyms(2R,4R,7R)-4-[(methylsulfanyl)methyl]-6-propyl-6,11-diazatetracyclo[7.6.1.0;{2,7}.0;{12,16}]hexadeca-1(16),9,12,14-tetraene
(2R,4R,7R)-4-[(methylsulfanyl)methyl]-6-propyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene
(6aR,9R,10aR)-9-(Methylthiomethyl)-7-propyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
(6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinolin-7-ium
(6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline
[ Show all ]
Inchi KeyYEHCICAEULNIGD-MZMPZRCHSA-N
Inchi IDInChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
PubChem CID47811
ChEMBLCHEMBL531
IUPHAR48
BindingDB50017543, 50028421
DrugBankDB01186

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
4080555-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
4080775-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
4080535-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
4080615-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
4080785-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
4080545-hydroxytryptamine receptor 2AP35363Htr2aMus musculus (Mouse)471
4080625-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
4080645-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
4080715-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
4080705-hydroxytryptamine receptor 6P31388Htr6Rattus norvegicus (Rat)436
4080795-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
5553195-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
5571825-hydroxytryptamine receptor 7P50407HTR7Cavia porcellus (Guinea pig)446
408058Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
457903Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
408069Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
408083Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
408067Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
408074Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
408060Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450

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