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Ligand

NameDihydroegotamine
Molecular formulaC33H37N5O5
IUPAC nameN-(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
Synonyms118268-EP2275420A1
118268-EP2280008A2
118268-EP2298764A1
118268-EP2298765A1
5'-Benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman #
[ Show all ]
Inchi KeyLUZRJRNZXALNLM-UHFFFAOYSA-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)
PubChem CID3066
ChEMBLN/A
IUPHARN/A
BindingDB86235
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 10
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1971075-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1971035-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
1971125-hydroxytryptamine receptor 1BO08892HTR1BCavia porcellus (Guinea pig)389
1971115-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
1971045-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
1971065-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
1971055-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
197108D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
197109D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
197110D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400

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