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Ligand

NameCHEMBL62868
Molecular formulaC19H32O5S
IUPAC name3-[3-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]propylsulfanyl]propanoic acid
Molecular weight372.52
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.2
Synonyms(11R,13E,15S)-9-Oxo-11,15-dihydroxy-4-thiaprosta-13-ene-1-oic acid
BDBM50101863
3-{(S)-3-[(R)-3-Hydroxy-2-((1R,2R)-3-hydroxy-oct-1-enyl)-5-oxo-cyclopentyl]-propylsulfanyl}-propionic acid
Inchi KeyGEGZUKCXRBOEAP-MAEOAUKBSA-N
Inchi IDInChI=1S/C19H32O5S/c1-2-3-4-6-14(20)8-9-16-15(17(21)13-18(16)22)7-5-11-25-12-10-19(23)24/h8-9,14-16,18,20,22H,2-7,10-13H2,1H3,(H,23,24)/b9-8+/t14-,15+,16+,18+/m0/s1
PubChem CID44304474
ChEMBLCHEMBL62868
IUPHARN/A
BindingDB50101863
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
94336Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
94337Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
94338Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
94335Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
94334Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513

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