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Ligand

NameCHEMBL2036326
Molecular formulaC28H27N3O5S2
IUPAC name2-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]but-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
Molecular weight549.66
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50385135
SCHEMBL14270358
Inchi KeyJCIWYGNAXZWKCG-KSFASEQNSA-N
Inchi IDInChI=1S/C28H27N3O5S2/c1-17-5-9-24-22(13-17)29-26(36-24)19-4-2-3-18(14-19)15-21(32)8-6-20-7-10-25(33)31(20)11-12-37-28-30-23(16-38-28)27(34)35/h2-6,8-9,13-14,16,20-21,32H,7,10-12,15H2,1H3,(H,34,35)/b8-6+/t20-,21+/m0/s1
PubChem CID58932681
ChEMBLCHEMBL2036326
IUPHARN/A
BindingDB50385135
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
147472Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
147469Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
147471Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
147467Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
147468Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513
147470Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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