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Ligand

NameCHEMBL559955
Molecular formulaC21H27NO4S
IUPAC name3-[3-[(4-butylphenyl)methyl-methylsulfonylamino]phenyl]propanoic acid
Molecular weight389.51
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50293511
3-(3-(N-(4-butylbenzyl)methylsulfonamido)phenyl)propanoic acid
Inchi KeyFDWQOVZKUZZVBT-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H27NO4S/c1-3-4-6-17-9-11-19(12-10-17)16-22(27(2,25)26)20-8-5-7-18(15-20)13-14-21(23)24/h5,7-12,15H,3-4,6,13-14,16H2,1-2H3,(H,23,24)
PubChem CID45268716
ChEMBLCHEMBL559955
IUPHARN/A
BindingDB50293511
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
75977Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
75978Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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