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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

NameCHEMBL1929530
Molecular formulaC20H27NO5S
IUPAC name4-[2-[(4S)-4-[(E,3S)-3-hydroxy-4-(3-methylphenyl)but-1-enyl]-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]butanoic acid
Molecular weight393.498
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.4
SynonymsSCHEMBL9881239
BDBM50360163
Inchi KeyLXIKXYLAOXWTDX-KBSZCIAZSA-N
Inchi IDInChI=1S/C20H27NO5S/c1-15-4-2-5-16(12-15)13-18(22)8-7-17-14-26-20(25)21(17)9-11-27-10-3-6-19(23)24/h2,4-5,7-8,12,17-18,22H,3,6,9-11,13-14H2,1H3,(H,23,24)/b8-7+/t17-,18+/m0/s1
PubChem CID10023506
ChEMBLCHEMBL1929530
IUPHARN/A
BindingDB50360163
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
198777Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
198780Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
198779Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
198776Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488
198778Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513

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