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Ligand

NameCHEMBL305126
Molecular formulaC21H28O6S2
IUPAC name2-[3-[(1R,2S,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-(4-methoxyphenyl)but-1-enyl]-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetic acid
Molecular weight440.569
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.3
SynonymsBDBM50101838
2-[3-[[(1R)-2beta-[(1E,3S)-3-Hydroxy-4-(4-methoxyphenyl)-1-butenyl]-3alpha-hydroxy-5-oxocyclopentane-1alpha-yl]thio]propylthio]acetic acid
(3-{(1R,2S,3R)-3-Hydroxy-2-[(E)-(S)-3-hydroxy-4-(4-methoxy-phenyl)-but-1-enyl]-5-oxo-cyclopentylsulfanyl}-propylsulfanyl)-acetic acid
Inchi KeyAZYKMZOJGGSIIB-DXWQYRMGSA-N
Inchi IDInChI=1S/C21H28O6S2/c1-27-16-6-3-14(4-7-16)11-15(22)5-8-17-18(23)12-19(24)21(17)29-10-2-9-28-13-20(25)26/h3-8,15,17-18,21-23H,2,9-13H2,1H3,(H,25,26)/b8-5+/t15-,17+,18-,21-/m1/s1
PubChem CID44304051
ChEMBLCHEMBL305126
IUPHARN/A
BindingDB50101838
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
18599Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
18602Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
18600Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
18601Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
18598Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513

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