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Ligand

NameU 46619
Molecular formulaC21H34O4
IUPAC name(Z)-7-[(1R,4S,5S,6R)-6-[(E,3S)-3-hydroxyoct-1-enyl]-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid
Molecular weight350.499
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.9
Synonyms(5Z)-7-[(1R,4S,5S,6R)-6-[(1E,3S)-3-Hydroxy-1-octenyl]-2-oxabicyclo[2.2.1]hept-5-yl]-5-heptenoic acid
(Z)-7-((1R,4S,5S,6R)-6-((S,E)-3-hydroxyoct-1-enyl)-2-oxabicyclo[2.2.1]heptan-5-yl)hept-5-enoic acid
(Z)-7-[(1S,4R,5R,6S)-5-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid
11-9 EM
11alpha,9alpha-epoxymethano-PGH2
[ Show all ]
Inchi KeyLQANGKSBLPMBTJ-BRSNVKEHSA-N
Inchi IDInChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19-,20-/m1/s1
PubChem CID5311493
ChEMBLCHEMBL521784
IUPHAR1888, 1974
BindingDB50292409
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: 16
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
486867Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593
554265Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
554268Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
554267Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395
554260Prostaglandin E2 receptor EP1 subtypeP70597Ptger1Rattus norvegicus (Rat)405
554264Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
554257Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
554266Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
554258Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
554263Prostaglandin E2 receptor EP3 subtypeP34980Ptger3Rattus norvegicus (Rat)365
554262Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488
554270Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
554261Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359
554269Prostaglandin F2-alpha receptorP43117PtgfrMus musculus (Mouse)366
193596Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343
554259Thromboxane A2 receptorP30987Tbxa2rMus musculus (Mouse)341

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