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Ligand

NameCHEMBL554823
Molecular formulaC20H33NO5S
IUPAC name7-[[4-(1-hydroxypentyl)phenyl]methyl-methylsulfonylamino]heptanoic acid
Molecular weight399.546
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.1
SynonymsSCHEMBL5725268
BDBM50293501
7-(N-(4-(1-hydroxypentyl)benzyl)methylsulfonamido)heptanoic acid
Inchi KeyIAAMLVBDSVOJFM-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H33NO5S/c1-3-4-9-19(22)18-13-11-17(12-14-18)16-21(27(2,25)26)15-8-6-5-7-10-20(23)24/h11-14,19,22H,3-10,15-16H2,1-2H3,(H,23,24)
PubChem CID22246895
ChEMBLCHEMBL554823
IUPHARN/A
BindingDB50293501
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
128215Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
128214Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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