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Ligand

NameCHEMBL165010
Molecular formulaC17H16O2S
IUPAC name(E)-3-[2-[(4-methylsulfanylphenyl)methyl]phenyl]prop-2-enoic acid
Molecular weight284.373
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.3
SynonymsSCHEMBL7929816
(E)-3-[2-(4-Methylsulfanyl-benzyl)-phenyl]-acrylic acid
BDBM50097794
SCHEMBL7929810
2-[4-(Methylthio)benzyl]benzeneacrylic acid
Inchi KeyGTCWHZLORAMXKL-DHZHZOJOSA-N
Inchi IDInChI=1S/C17H16O2S/c1-20-16-9-6-13(7-10-16)12-15-5-3-2-4-14(15)8-11-17(18)19/h2-11H,12H2,1H3,(H,18,19)/b11-8+
PubChem CID9817292
ChEMBLCHEMBL165010
IUPHARN/A
BindingDB50097794
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
104731Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
104735Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
104737Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
104732Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
104734Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
104736Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
104738Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359
104733Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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