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Ligand

NameCHEMBL189694
Molecular formulaC28H28O5S
IUPAC name2-[[3-[2-(1,1-diphenylpropylsulfanyl)ethyl]-2-(hydroxymethyl)-1-benzofuran-7-yl]oxy]acetic acid
Molecular weight476.587
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.9
SynonymsBDBM50171479
{3-[2-(1,1-Diphenyl-propylsulfanyl)-ethyl]-2-hydroxymethyl-benzofuran-7-yloxy}-acetic acid
Inchi KeyANAJKRIABHPZSH-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H28O5S/c1-2-28(20-10-5-3-6-11-20,21-12-7-4-8-13-21)34-17-16-22-23-14-9-15-24(32-19-26(30)31)27(23)33-25(22)18-29/h3-15,29H,2,16-19H2,1H3,(H,30,31)
PubChem CID11260506
ChEMBLCHEMBL189694
IUPHARN/A
BindingDB50171479
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9392Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
9393Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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