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Ligand

NameCHEMBL62779
Molecular formulaC23H32O6S2
IUPAC name2-[3-[(1R,2S,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-[3-(2-methoxyethyl)phenyl]but-1-enyl]-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetic acid
Molecular weight468.623
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.4
SynonymsBDBM50101845
[3-((1R,2S,3R)-3-Hydroxy-2-{(E)-(S)-3-hydroxy-4-[3-(2-methoxy-ethyl)-phenyl]-but-1-enyl}-5-oxo-cyclopentylsulfanyl)-propylsulfanyl]-acetic acid
2-[3-[[(1R)-2beta-[(1E,3S)-3-Hydroxy-4-[3-(2-methoxyethyl)phenyl]-1-butenyl]-3alpha-hydroxy-5-oxocyclopentane-1alpha-yl]thio]propylthio]acetic acid
Inchi KeyHZJSPYQACNBFBE-PKELSGCASA-N
Inchi IDInChI=1S/C23H32O6S2/c1-29-9-8-16-4-2-5-17(12-16)13-18(24)6-7-19-20(25)14-21(26)23(19)31-11-3-10-30-15-22(27)28/h2,4-7,12,18-20,23-25H,3,8-11,13-15H2,1H3,(H,27,28)/b7-6+/t18-,19+,20-,23-/m1/s1
PubChem CID44303590
ChEMBLCHEMBL62779
IUPHARN/A
BindingDB50101845
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
127762Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
127763Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
127761Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
127760Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
127759Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513

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