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Ligand

Namedihydroergotamine
Molecular formulaC33H37N5O5
IUPAC name(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular weight583.689
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.4
Synonyms9,10-Dihydroergotamine
Dihidroergotamina
Dihydroergotaminum
Ergomimet
Migranal
[ Show all ]
Inchi KeyLUZRJRNZXALNLM-JGRZULCMSA-N
Inchi IDInChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23-,25-,26+,27+,32-,33+/m1/s1
PubChem CID10531
ChEMBLCHEMBL1732
IUPHAR121
BindingDB50295557
DrugBankDB00320

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 25
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
1970895-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
1970875-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
1970975-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
1970855-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
5542865-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
5542855-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366
1970935-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
1971005-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
1970985-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
1970925-hydroxytryptamine receptor 4O70528HTR4Cavia porcellus (Guinea pig)388
1970805-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
5542835-hydroxytryptamine receptor 6P31388Htr6Rattus norvegicus (Rat)436
5542825-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
5542845-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
449430Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
197079Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
197095Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
197082Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
197096Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
197078Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462

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