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Ligand

NameCHEMBL1933723
Molecular formulaC21H24N2O4S2
IUPAC name2-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-(3-methylphenyl)but-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-5-carboxylic acid
Molecular weight432.553
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM50360627
SCHEMBL10210287
Inchi KeyJJRCQFOJQGXVPO-FKQXODTLSA-N
Inchi IDInChI=1S/C21H24N2O4S2/c1-14-3-2-4-15(11-14)12-17(24)7-5-16-6-8-19(25)23(16)9-10-28-21-22-13-18(29-21)20(26)27/h2-5,7,11,13,16-17,24H,6,8-10,12H2,1H3,(H,26,27)/b7-5+/t16-,17+/m0/s1
PubChem CID57393339
ChEMBLCHEMBL1933723
IUPHARN/A
BindingDB50360627
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
152589Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
152588Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
152587Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
152586Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513

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