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Ligand

NameCHEMBL559760
Molecular formulaC22H29NO4S
IUPAC name4-[2-[(4-butylphenyl)methyl-methylsulfonylamino]phenyl]butanoic acid
Molecular weight403.537
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.6
Synonyms4-(2-(N-(4-butylbenzyl)methylsulfonamido)phenyl)butanoic acid
BDBM50293509
Inchi KeyLMZPOLLSKTVDFU-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H29NO4S/c1-3-4-8-18-13-15-19(16-14-18)17-23(28(2,26)27)21-11-6-5-9-20(21)10-7-12-22(24)25/h5-6,9,11,13-16H,3-4,7-8,10,12,17H2,1-2H3,(H,24,25)
PubChem CID45268715
ChEMBLCHEMBL559760
IUPHARN/A
BindingDB50293509
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
191415Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
191416Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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