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Ligand

NameCHEMBL292717
Molecular formulaC24H34O6S2
IUPAC name2-[3-[(1R,2S,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-[3-(propoxymethyl)phenyl]but-1-enyl]-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetic acid
Molecular weight482.65
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.9
SynonymsBDBM50101839
2-[3-[[(1R)-2beta-[(1E,3S)-3-Hydroxy-4-[3-(propoxymethyl)phenyl]-1-butenyl]-3alpha-hydroxy-5-oxocyclopentane-1alpha-yl]thio]propylthio]acetic acid
(3-{(1R,2S,3R)-3-Hydroxy-2-[(E)-(S)-3-hydroxy-4-(3-propoxymethyl-phenyl)-but-1-enyl]-5-oxo-cyclopentylsulfanyl}-propylsulfanyl)-acetic acid
Inchi KeyFIQXCPHRXZECRQ-OOGOAWJDSA-N
Inchi IDInChI=1S/C24H34O6S2/c1-2-9-30-15-18-6-3-5-17(12-18)13-19(25)7-8-20-21(26)14-22(27)24(20)32-11-4-10-31-16-23(28)29/h3,5-8,12,19-21,24-26H,2,4,9-11,13-16H2,1H3,(H,28,29)/b8-7+/t19-,20+,21-,24-/m1/s1
PubChem CID44304009
ChEMBLCHEMBL292717
IUPHARN/A
BindingDB50101839
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
79309Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
79311Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
79307Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
79310Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
79308Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513

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