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Ligand

NameCHEMBL1933722
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-4-carboxylic acid
Molecular weight432.553
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.2
SynonymsSCHEMBL3687355
BDBM50360626
Inchi KeySPMAVWPLKMHZJS-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)9-10-28-21-22-18(13-29-21)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 CID56835070
ChEMBLCHEMBL1933722
IUPHARN/A
BindingDB50360626
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
320084Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
320083Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
320088Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
320085Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
320086Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513
320087Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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