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Ligand

NameMethysergidum
Molecular formulaC21H27N3O2
IUPAC name(6aR,9R)-N-(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
SynonymsCHEBI:584020
1-Methyllysergic acid butanolamide
N-(1-(Hydroxymethyl)propyl)-1-methyl-dextro-(+)-lysergamide
metisergida
1-Methyl-D-lysergic acid butanolamide
[ Show all ]
Inchi KeyKPJZHOPZRAFDTN-NQUBZZJWSA-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)/t14-,15?,19-/m1/s1
PubChem CID6540428
ChEMBLN/A
IUPHARN/A
BindingDBN/A
DrugBankDB00247

Structure

SDF download

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

Known GPCRs

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Total entries: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1748235-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1748185-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
1748215-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
1748175-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366
1748245-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
1748205-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
1748225-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
1748195-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479

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