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Ligand

NameCHEMBL2036312
Molecular formulaC27H30N2O5S
IUPAC name4-[2-[(2R)-2-[(E,3S)-4-[3-(1,3-benzoxazol-2-yl)phenyl]-3-hydroxybut-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]butanoic acid
Molecular weight494.606
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.4
SynonymsBDBM50385122
SCHEMBL10210677
Inchi KeyJZCFDPKIVFTNPA-PNXDNICKSA-N
Inchi IDInChI=1S/C27H30N2O5S/c30-22(12-10-21-11-13-25(31)29(21)14-16-35-15-4-9-26(32)33)18-19-5-3-6-20(17-19)27-28-23-7-1-2-8-24(23)34-27/h1-3,5-8,10,12,17,21-22,30H,4,9,11,13-16,18H2,(H,32,33)/b12-10+/t21-,22+/m0/s1
PubChem CID57894092
ChEMBLCHEMBL2036312
IUPHARN/A
BindingDB50385122
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
163571Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
163570Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
163569Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
163567Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488
163568Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513

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