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Ligand

NameCHEMBL223151
Molecular formulaC18H31NO4S
IUPAC name4-[2-[(2R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]butanoic acid
Molecular weight357.509
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.3
SynonymsSCHEMBL2446210
LDTVAEAOOFGOEC-OZVGAOPWSA-N
BDBM50156554
4-(2-((R)-2-((S,E)-3-hydroxyoct-1-enyl)-5-oxopyrrolidin-1-yl)ethylthio)butanoic acid
4-[(2-{(2R)-2-[(1E,3S)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl}ethyl)thio]butanoic acid
[ Show all ]
Inchi KeyLDTVAEAOOFGOEC-OZVGAOPWSA-N
Inchi IDInChI=1S/C18H31NO4S/c1-2-3-4-6-16(20)10-8-15-9-11-17(21)19(15)12-14-24-13-5-7-18(22)23/h8,10,15-16,20H,2-7,9,11-14H2,1H3,(H,22,23)/b10-8+/t15-,16-/m0/s1
PubChem CID9885106
ChEMBLCHEMBL223151
IUPHARN/A
BindingDB50156554
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: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
184939Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
184932Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
184936Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
184938Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
184933Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
184934Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
184935Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
184937Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513
184940Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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