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Ligand

NameCHEMBL2036314
Molecular formulaC28H31NO5S
IUPAC name4-[2-[(2R)-2-[(E,3S)-4-[3-(1-benzofuran-2-yl)phenyl]-3-hydroxybut-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]butanoic acid
Molecular weight493.618
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.0
SynonymsBDBM50385124
SCHEMBL10210592
4-[2-[(5R)-5-[(3S)-3-Hydroxy-4-[3-(2-benzofuranyl)phenyl]-1-butenyl]-2-oxopyrrolizino]ethylthio]butanoic acid
Inchi KeyHUUGVAOMPGUWBV-BVTGIUCLSA-N
Inchi IDInChI=1S/C28H31NO5S/c30-24(12-10-23-11-13-27(31)29(23)14-16-35-15-4-9-28(32)33)18-20-5-3-7-21(17-20)26-19-22-6-1-2-8-25(22)34-26/h1-3,5-8,10,12,17,19,23-24,30H,4,9,11,13-16,18H2,(H,32,33)/b12-10+/t23-,24+/m0/s1
PubChem CID12002527
ChEMBLCHEMBL2036314
IUPHARN/A
BindingDB50385124
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
124612Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
124614Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
124615Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
124611Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488
124613Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513

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