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Ligand

NameCHEMBL1929527
Molecular formulaC22H31NO5S
IUPAC name4-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]butanoic acid
Molecular weight421.552
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.6
SynonymsSCHEMBL11929380
BDBM50360160
(13E,15S)-9-Oxo-15-hydroxy-16-[3-(methoxymethyl)phenyl]-5-thia-8-aza-17,18,19,20-tetranorprosta-13-ene-1-oic acid
Inchi KeyCERPXAWHPJKQQI-QOEWUMFVSA-N
Inchi IDInChI=1S/C22H31NO5S/c1-28-16-18-5-2-4-17(14-18)15-20(24)9-7-19-8-10-21(25)23(19)11-13-29-12-3-6-22(26)27/h2,4-5,7,9,14,19-20,24H,3,6,8,10-13,15-16H2,1H3,(H,26,27)/b9-7+/t19-,20+/m0/s1
PubChem CID56834112
ChEMBLCHEMBL1929527
IUPHARN/A
BindingDB50360160
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
40196Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
40197Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
40195Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
40194Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513
40198Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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