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Ligand

NameCHEMBL222715
Molecular formulaC21H29NO4
IUPAC name4-[2-[(2R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
Molecular weight359.466
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.3
SynonymsSCHEMBL4936479
JDFLTRXXHVSTHR-OCSRFSMESA-N
BDBM50156547
4-(2-((R)-2-((S)-3-hydroxyoct-1-enyl)-5-oxopyrrolidin-1-yl)ethyl)benzoate
4-(2-((R)-2-((S,E)-3-hydroxyoct-1-enyl)-5-oxopyrrolidin-1-yl)ethyl)benzoic acid
[ Show all ]
Inchi KeyJDFLTRXXHVSTHR-OCSRFSMESA-N
Inchi IDInChI=1S/C21H29NO4/c1-2-3-4-5-19(23)12-10-18-11-13-20(24)22(18)15-14-16-6-8-17(9-7-16)21(25)26/h6-10,12,18-19,23H,2-5,11,13-15H2,1H3,(H,25,26)/b12-10+/t18-,19-/m0/s1
PubChem CID10291963
ChEMBLCHEMBL222715
IUPHARN/A
BindingDB50156547
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: 10
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
148128Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
148133Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
148126Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
148127Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
148129Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
148131Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
148134Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
148125Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
148130Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488
148132Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513

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