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Ligand

NameCHEMBL2036322
Molecular formulaC28H26N2O5S2
IUPAC name2-[2-[(2R)-2-[(E,3S)-4-[3-(1-benzofuran-2-yl)phenyl]-3-hydroxybut-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
Molecular weight534.645
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.9
SynonymsBDBM50385131
SCHEMBL3683202
Inchi KeyPWCLBJYOGZNYIQ-PCBIHFGQSA-N
Inchi IDInChI=1S/C28H26N2O5S2/c31-22(15-18-4-3-6-19(14-18)25-16-20-5-1-2-7-24(20)35-25)10-8-21-9-11-26(32)30(21)12-13-36-28-29-23(17-37-28)27(33)34/h1-8,10,14,16-17,21-22,31H,9,11-13,15H2,(H,33,34)/b10-8+/t21-,22+/m0/s1
PubChem CID57464006
ChEMBLCHEMBL2036322
IUPHARN/A
BindingDB50385131
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
270345Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
270347Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
270348Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
270346Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
270343Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513
270344Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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