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Ligand

NameAUY954
Molecular formulaC25H20F3NO2S
IUPAC name3-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid
Molecular weight455.495
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.7
SynonymsAUY 954
D03BRM
GTPL2925
SCHEMBL2237377
AUY-954
[ Show all ]
Inchi KeySKYYWSWIUKISCX-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H20F3NO2S/c26-25(27,28)21-13-18(7-8-20(21)17-4-2-1-3-5-17)23-14-19-12-16(6-9-22(19)32-23)15-29-11-10-24(30)31/h1-9,12-14,29H,10-11,15H2,(H,30,31)
PubChem CID11259583
ChEMBLN/A
IUPHAR2925
BindingDBN/A
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
554830Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
554836Sphingosine 1-phosphate receptor 1O08530S1pr1Mus musculus (Mouse)382
554831Sphingosine 1-phosphate receptor 2P52592S1pr2Mus musculus (Mouse)352
554832Sphingosine 1-phosphate receptor 3Q9Z0U9S1pr3Mus musculus (Mouse)378
554835Sphingosine 1-phosphate receptor 4Q9Z0L1S1pr4Mus musculus (Mouse)386
554833Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398
554834Sphingosine 1-phosphate receptor 5Q91X56S1pr5Mus musculus (Mouse)400

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