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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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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	SCHEMBL805679
Molecular formula	C30H31F2N3O2
IUPAC name	1-benzyl-3-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-N-propylindole-3,6-dicarboxamide
Molecular weight	503.594
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	5.9
Synonyms	US8524917, 156 CHEMBL3655519 BDBM101183
Inchi Key	AZFBFWKEVAJEIS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H31F2N3O2/c1-4-14-33-29(36)22-11-12-23-26(16-22)35(18-20-8-6-5-7-9-20)28(19(2)3)27(23)30(37)34-17-21-10-13-24(31)25(32)15-21/h5-13,15-16,19H,4,14,17-18H2,1-3H3,(H,33,36)(H,34,37)
PubChem CID	25060537
ChEMBL	CHEMBL3655519
IUPHAR	N/A
BindingDB	101183
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	146.0 nM	, None	BindingDB,ChEMBL

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