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Ligand

NameCHEMBL62888
Molecular formulaC21H28O6S2
IUPAC name2-[3-[(1R,2S,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-(3-methoxyphenyl)but-1-enyl]-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetic acid
Molecular weight440.569
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.3
Synonyms(3-{(1R,2S,3R)-3-Hydroxy-2-[(E)-(S)-3-hydroxy-4-(3-methoxy-phenyl)-but-1-enyl]-5-oxo-cyclopentylsulfanyl}-propylsulfanyl)-acetic acid
BDBM50101844
2-[3-[[(1R)-2beta-[(1E,3S)-3-Hydroxy-4-(3-methoxyphenyl)-1-butenyl]-3alpha-hydroxy-5-oxocyclopentane-1alpha-yl]thio]propylthio]acetic acid
Inchi KeyFVUMVRZMKJTVOG-SXHXOKGWSA-N
Inchi IDInChI=1S/C21H28O6S2/c1-27-16-5-2-4-14(11-16)10-15(22)6-7-17-18(23)12-19(24)21(17)29-9-3-8-28-13-20(25)26/h2,4-7,11,15,17-18,21-23H,3,8-10,12-13H2,1H3,(H,25,26)/b7-6+/t15-,17+,18-,21-/m1/s1
PubChem CID44304052
ChEMBLCHEMBL62888
IUPHARN/A
BindingDB50101844
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
88524Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
88522Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
88525Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
88521Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
88523Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513

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