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Ligand

NameCHEMBL562411
Molecular formulaC21H35NO5S
IUPAC name7-[[4-(1-hydroxyhexyl)phenyl]methyl-methylsulfonylamino]heptanoic acid
Molecular weight413.573
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.6
SynonymsSCHEMBL1471097
PEGKTVODCSBWQI-UHFFFAOYSA-N
BDBM50293498
7-(N-(4-(1-hydroxyhexyl)benzyl)methylsulfonamido)heptanoic acid
7-{[4-(1-hydroxy-hexyl)-benzyl]-methanesulfonyl-amino}-heptanoic acid
Inchi KeyPEGKTVODCSBWQI-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H35NO5S/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/h12-15,20,23H,3-11,16-17H2,1-2H3,(H,24,25)
PubChem CID10223499
ChEMBLCHEMBL562411
IUPHARN/A
BindingDB50293498
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
257596Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
257597Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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