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Ligand

NameCHEMBL562291
Molecular formulaC21H33NO5S
IUPAC name7-[(4-hexanoylphenyl)methyl-methylsulfonylamino]heptanoic acid
Molecular weight411.557
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50293500
NMROFMQEMIWYTD-UHFFFAOYSA-N
7-(N-(4-hexanoylbenzyl)methylsulfonamido)heptanoic acid
SCHEMBL5724785
7-[(4-Hexanoyl-benzyl)-methanesulfonyl-amino]-heptanoic Acid
Inchi KeyNMROFMQEMIWYTD-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H33NO5S/c1-3-4-7-10-20(23)19-14-12-18(13-15-19)17-22(28(2,26)27)16-9-6-5-8-11-21(24)25/h12-15H,3-11,16-17H2,1-2H3,(H,24,25)
PubChem CID22246956
ChEMBLCHEMBL562291
IUPHARN/A
BindingDB50293500
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
227180Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
227181Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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