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Ligand

NameCHEMBL64187
Molecular formulaC19H32O5S
IUPAC name4-[2-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]ethylsulfanyl]butanoic acid
Molecular weight372.52
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.2
Synonyms4-{(S)-2-[(R)-3-Hydroxy-2-((1R,2R)-3-hydroxy-oct-1-enyl)-5-oxo-cyclopentyl]-ethylsulfanyl}-butyric acid
(11R,13E,15S)-9-Oxo-11,15-dihydroxy-5-thiaprosta-13-ene-1-oic acid
BDBM50101861
Inchi KeyIXCUJFRBJKGYEX-KIQRJQQFSA-N
Inchi IDInChI=1S/C19H32O5S/c1-2-3-4-6-14(20)8-9-15-16(18(22)13-17(15)21)10-12-25-11-5-7-19(23)24/h8-9,14-17,20-21H,2-7,10-13H2,1H3,(H,23,24)/b9-8+/t14-,15+,16+,17+/m0/s1
PubChem CID44304388
ChEMBLCHEMBL64187
IUPHARN/A
BindingDB50101861
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
143858Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
143859Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
143856Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
143855Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
143857Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513

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