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Ligand

NameIsocarbacyclin
Molecular formulaC21H34O4
IUPAC name5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S)-3-hydroxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid
Molecular weight350.499
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.4
Synonyms9-O-methanoprostaglandin I
TEI-7165
D02YIJ
5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S)-3-hydroxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid
J2E3T1I1U9
[ Show all ]
Inchi KeyJANVYOZZTKSZGN-WCAFQOMDSA-N
Inchi IDInChI=1S/C21H34O4/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h10-12,16-20,22-23H,2-9,13-14H2,1H3,(H,24,25)/b11-10+/t16-,17-,18+,19-,20+/m0/s1
PubChem CID5311244
ChEMBLN/A
IUPHAR1934
BindingDBN/A
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
554008Prostacyclin receptorP43252PtgirMus musculus (Mouse)415
554007Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
554006Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365

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