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Ligand

NameCHEMBL1929550
Molecular formulaC23H33NO4S
IUPAC name7-[(2R)-2-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-sulfanylidenepyrrolidin-1-yl]heptanoic acid
Molecular weight419.58
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.8
SynonymsSCHEMBL10210416
BDBM50360157
Inchi KeyAKRBADWPYNKQNE-RWDVLYHFSA-N
Inchi IDInChI=1S/C23H33NO4S/c1-28-17-19-8-6-7-18(15-19)16-21(25)12-10-20-11-13-22(29)24(20)14-5-3-2-4-9-23(26)27/h6-8,10,12,15,20-21,25H,2-5,9,11,13-14,16-17H2,1H3,(H,26,27)/b12-10+/t20-,21+/m0/s1
PubChem CID57394140
ChEMBLCHEMBL1929550
IUPHARN/A
BindingDB50360157
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
7813Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
7816Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
7815Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
7812Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513
7814Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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