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Ligand

Name1-Methyllysergic acid butanolamide
Molecular formulaC21H27N3O2
IUPAC nameN-(1-hydroxybutan-2-yl)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
Molecular weight353.466
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.3
SynonymsErgoline-8-carboxamide, 9,10-didehydro-N-[1-(hydroxymethyl)propyl]-1,6-dimethyl-, [8.beta.(S)]-
AC1L1HJY
L001319
(+)-9,10-Didehydro-N-[1-(hydroxymethyl)propyl]-1,6-dimethylergoline-8.beta.-carboxamide
Ergoline-8-carboxamide, 9,10-didehydro-N-[(S)-1-(hydroxymethyl)propyl]-1,6-dimethyl-, (8.beta.)-
[ Show all ]
Inchi KeyKPJZHOPZRAFDTN-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)
PubChem CID4163
ChEMBLN/A
IUPHARN/A
BindingDBN/A
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: 35
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
1748275-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1748475-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
1748555-hydroxytryptamine receptor 1BO08892HTR1BCavia porcellus (Guinea pig)389
1748265-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
1748375-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
1748335-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366
1748295-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
1748565-hydroxytryptamine receptor 2AP50129HTR2ASus scrofa (Pig)470
1748435-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
1748425-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
1748385-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
1748535-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
1748355-hydroxytryptamine receptor 7P50407HTR7Cavia porcellus (Guinea pig)446
1748365-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
174848Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
174858Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
174849Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
174839Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
174840Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
174851Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477

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