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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Sphingosine 1-phosphate receptor 3
Species	Homo sapiens (Human)
Gene	S1PR3
Synonym	Sphingosine 1-phosphate receptor Edg-3 S1P3 receptor S1P3 S1P receptor Edg-3 S1P receptor 3 Endothelial differentiation G-protein coupled receptor 3 endothelial differentiation G protein-coupled receptor 3 edg3 [ Show all ]
Disease	Breast cancer
Length	378
Amino acid sequence	MATALPPRLQPVRGNETLREHYQYVGKLAGRLKEASEGSTLTTVLFLVICSFIVLENLMVLIAIWKNNKFHNRMYFFIGNLALCDLLAGIAYKVNILMSGKKTFSLSPTVWFLREGSMFVALGASTCSLLAIAIERHLTMIKMRPYDANKRHRVFLLIGMCWLIAFTLGALPILGWNCLHNLPDCSTILPLYSKKYIAFCISIFTAILVTIVILYARIYFLVKSSSRKVANHNNSERSMALLRTVVIVVSVFIACWSPLFILFLIDVACRVQACPILFKAQWFIVLAVLNSAMNPVIYTLASKEMRRAFFRLVCNCLVRGRGARASPIQPALDPSRSKSSSSNNSSHSPKVKEDLPHTAPSSCIMDKNAALQNGIFCN
UniProt	Q99500
Protein Data Bank	N/A
GPCR-HGmod model	Q99500
3D structure model	This predicted structure model is from GPCR-EXP Q99500.
BioLiP	N/A
Therapeutic Target Database	T11241
ChEMBL	CHEMBL3892
IUPHAR	277
DrugBank	N/A

Ligand

Name	CHEMBL2336069
Molecular formula	C29H35F3N2O3
IUPAC name	3-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-cyclopropylphenyl]methylamino]propanoic acid
Molecular weight	516.605
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	4.6
Synonyms	BDBM50428144 SCHEMBL1566887
Inchi Key	AMTXHXVQBKEMOV-ALQBTCKLSA-N
Inchi ID	InChI=1S/C29H35F3N2O3/c1-19(23-10-11-24(17-33-14-13-28(35)36)26(16-23)22-8-9-22)34-37-18-20-7-12-25(21-5-3-2-4-6-21)27(15-20)29(30,31)32/h7,10-12,15-16,21-22,33H,2-6,8-9,13-14,17-18H2,1H3,(H,35,36)/b34-19+
PubChem CID	57570486
ChEMBL	CHEMBL2336069
IUPHAR	N/A
BindingDB	50428144
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	1300.0 nM	PMID24900670	BindingDB,ChEMBL
Emax	63.0 %	PMID24900670	ChEMBL

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