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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

Nameacrylic acid derivative, 9
Molecular formulaC22H22N2O4
IUPAC name(E)-3-[4-(imidazol-1-ylmethyl)-2-(3-phenoxypropoxy)phenyl]prop-2-enoic acid
Molecular weight378.428
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM35851
SCHEMBL5917312
SCHEMBL5917317
CHEMBL596499
Inchi KeyDIUXXSDTVUVPCU-MDZDMXLPSA-N
Inchi IDInChI=1S/C22H22N2O4/c25-22(26)10-9-19-8-7-18(16-24-12-11-23-17-24)15-21(19)28-14-4-13-27-20-5-2-1-3-6-20/h1-3,5-12,15,17H,4,13-14,16H2,(H,25,26)/b10-9+
PubChem CID10199656
ChEMBLCHEMBL596499
IUPHARN/A
BindingDB35851
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
61109Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
61112Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
61111Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
61110Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513

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