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Ligand

NameCHEMBL1929551
Molecular formulaC21H29NO3S2
IUPAC name4-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-(3-methylphenyl)but-1-enyl]-5-sulfanylidenepyrrolidin-1-yl]ethylsulfanyl]butanoic acid
Molecular weight407.587
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.9
SynonymsSCHEMBL10210414
BDBM50360158
Inchi KeySJTWUBFMJFGENT-HKBUGEINSA-N
Inchi IDInChI=1S/C21H29NO3S2/c1-16-4-2-5-17(14-16)15-19(23)9-7-18-8-10-20(26)22(18)11-13-27-12-3-6-21(24)25/h2,4-5,7,9,14,18-19,23H,3,6,8,10-13,15H2,1H3,(H,24,25)/b9-7+/t18-,19+/m0/s1
PubChem CID56949973
ChEMBLCHEMBL1929551
IUPHARN/A
BindingDB50360158
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
316139Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
316141Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
316137Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
316138Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513
316140Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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