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Ligand

NameCHEMBL64072
Molecular formulaC23H33FO5S
IUPAC name4-[2-[(1R,2R,3R,5R)-5-fluoro-3-hydroxy-2-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]cyclopentyl]ethylsulfanyl]butanoic acid
Molecular weight440.57
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.8
SynonymsBDBM50101859
SCHEMBL10210046
4-[2-[(1R)-2beta-[(1E,3S)-3-Hydroxy-4-[3-(methoxymethyl)phenyl]-1-butenyl]-3alpha-hydroxy-5beta-fluorocyclopentane-1alpha-yl]ethylthio]butanoic acid
4-(2-{(1R,2R,3R,5R)-5-Fluoro-3-hydroxy-2-[(E)-(S)-3-hydroxy-4-(3-methoxymethyl-phenyl)-but-1-enyl]-cyclopentyl}-ethylsulfanyl)-butyric acid
Inchi KeyIZHJCSHFOPUFEW-WJLXUBJISA-N
Inchi IDInChI=1S/C23H33FO5S/c1-29-15-17-5-2-4-16(12-17)13-18(25)7-8-20-19(21(24)14-22(20)26)9-11-30-10-3-6-23(27)28/h2,4-5,7-8,12,18-22,25-26H,3,6,9-11,13-15H2,1H3,(H,27,28)/b8-7+/t18-,19-,20-,21-,22-/m1/s1
PubChem CID9867899
ChEMBLCHEMBL64072
IUPHARN/A
BindingDB50101859
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
145301Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
145304Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
145303Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
145302Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
145300Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513

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