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Ligand

NameCHEMBL2037290
Molecular formulaC28H27N3O5S2
IUPAC name2-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-[3-(4-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
SynonymsBDBM50385137
SCHEMBL14270365
Inchi KeyLBKVVYLADFVUQO-BPFVEMAFSA-N
Inchi IDInChI=1S/C28H27N3O5S2/c1-17-4-2-7-23-25(17)30-26(36-23)19-6-3-5-18(14-19)15-21(32)10-8-20-9-11-24(33)31(20)12-13-37-28-29-22(16-38-28)27(34)35/h2-8,10,14,16,20-21,32H,9,11-13,15H2,1H3,(H,34,35)/b10-8+/t20-,21+/m0/s1
PubChem CID58932678
ChEMBLCHEMBL2037290
IUPHARN/A
BindingDB50385137
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
183324Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
183323Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
183326Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
183321Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
183322Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488
183325Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513

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