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Ligand

NameCHEMBL293856
Molecular formulaC22H30O6S2
IUPAC name2-[3-[(1R,2S,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetic acid
Molecular weight454.596
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.0
SynonymsBDBM50101851
(3-{(1R,2S,3R)-3-Hydroxy-2-[(E)-(S)-3-hydroxy-4-(3-methoxymethyl-phenyl)-but-1-enyl]-5-oxo-cyclopentylsulfanyl}-propylsulfanyl)-acetic acid
ONO-AE-1-329
AE-1-329
253350-43-5
[ Show all ]
Inchi KeyHPGFXJSSALETIS-UCWXVSLCSA-N
Inchi IDInChI=1S/C22H30O6S2/c1-28-13-16-5-2-4-15(10-16)11-17(23)6-7-18-19(24)12-20(25)22(18)30-9-3-8-29-14-21(26)27/h2,4-7,10,17-19,22-24H,3,8-9,11-14H2,1H3,(H,26,27)/b7-6+/t17-,18+,19-,22-/m1/s1
PubChem CID9846782
ChEMBLCHEMBL293856
IUPHARN/A
BindingDB50101851
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
120657Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
120654Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
120656Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
120658Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
120655Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513

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