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Ligand

NameCHEMBL208410
Molecular formulaC26H29NO4S
IUPAC name5-[3-[(2S)-2-(3-hydroxy-4-naphthalen-2-ylbutyl)-5-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylic acid
Molecular weight451.581
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.0
SynonymsBDBM50181295
SCHEMBL4997036
5-(3-((S)-2-(3-hydroxy-4-(naphthalen-2-yl)butyl)-5-oxopyrrolidin-1-yl)propyl)thiophene-2-carboxylic acid
Inchi KeyXMZZINOBVHKJPS-HMTLIYDFSA-N
Inchi IDInChI=1S/C26H29NO4S/c28-22(17-18-7-8-19-4-1-2-5-20(19)16-18)11-9-21-10-14-25(29)27(21)15-3-6-23-12-13-24(32-23)26(30)31/h1-2,4-5,7-8,12-13,16,21-22,28H,3,6,9-11,14-15,17H2,(H,30,31)/t21-,22?/m0/s1
PubChem CID44409737
ChEMBLCHEMBL208410
IUPHARN/A
BindingDB50181295
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
396081Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
396082Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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