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Ligand

NameERGOTAMINE
Molecular formulaC33H35N5O5
IUPAC name(6aR,9R)-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-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular weight581.673
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.0
SynonymsErgotamine, tartrate (2:1) (salt) (8CI)
Femergin
Lingran
(5''alpha)-12''-hydroxy-2''-methyl-5''-(phenylmethyl)ergotoman-3'',6'',18-trione
Rigetamin
[ Show all ]
Inchi KeyXCGSFFUVFURLIX-VFGNJEKYSA-N
Inchi IDInChI=1S/C33H35N5O5/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/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1
PubChem CID8223
ChEMBLCHEMBL442
IUPHAR149
BindingDB50027065
DrugBankDB00696

Structure

SDF download

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

Known GPCRs

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Total entries: 47
Page:  / 3 

GLASS IDNameUniProtGeneSpeciesLength
3882715-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
3882905-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
3882615-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
3882765-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
3882495-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
3882795-hydroxytryptamine receptor 1DP28565Htr1dRattus norvegicus (Rat)374
3882825-hydroxytryptamine receptor 1DP11614HTR1DCanis lupus familiaris (Dog)377
3882635-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
3882865-hydroxytryptamine receptor 1FP30940Htr1fRattus norvegicus (Rat)366
3882895-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366
3882915-hydroxytryptamine receptor 1FQ02284Htr1fMus musculus (Mouse)366
3882685-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5552445-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
3882705-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
3882505-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
3882585-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
3882875-hydroxytryptamine receptor 4O70528HTR4Cavia porcellus (Guinea pig)388
3882525-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
3882595-hydroxytryptamine receptor 5AP35364Htr5aRattus norvegicus (Rat)357
3882775-hydroxytryptamine receptor 5AP30966Htr5aMus musculus (Mouse)357

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