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Ligand

NameKi16425
Molecular formulaC23H23ClN2O5S
IUPAC name3-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]methylsulfanyl]propanoic acid
Molecular weight474.956
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.5
Synonyms3-({4-[4-({[1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]benzyl}sulfanyl)propanoic acid
AS-16643
CS-0510
HY-13285
MolPort-009-019-392
[ Show all ]
Inchi KeyLLIFMNUXGDHTRO-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H23ClN2O5S/c1-14-21(25-23(29)30-15(2)18-5-3-4-6-19(18)24)22(31-26-14)17-9-7-16(8-10-17)13-32-12-11-20(27)28/h3-10,15H,11-13H2,1-2H3,(H,25,29)(H,27,28)
PubChem CID10367662
ChEMBLCHEMBL361501
IUPHAR2907
BindingDB50170859
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
190300Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
190302Lysophosphatidic acid receptor 1P61794Lpar1Rattus norvegicus (Rat)364
554222Lysophosphatidic acid receptor 1P61793Lpar1Mus musculus (Mouse)364
554223Lysophosphatidic acid receptor 2Q9HBW0LPAR2Homo sapiens (Human)351
190301Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353
190299Lysophosphatidic acid receptor 5Q9H1C0LPAR5Homo sapiens (Human)372

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