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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	SCHEMBL805638
Molecular formula	C29H29F2N3O2
IUPAC name	1-benzyl-3-N-[(3,4-difluorophenyl)methyl]-6-N-ethyl-2-propan-2-ylindole-3,6-dicarboxamide
Molecular weight	489.567
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	5.4
Synonyms	US8524917, 155 CHEMBL3655518 BDBM101182
Inchi Key	AWDNYSSLNNWAGU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H29F2N3O2/c1-4-32-28(35)21-11-12-22-25(15-21)34(17-19-8-6-5-7-9-19)27(18(2)3)26(22)29(36)33-16-20-10-13-23(30)24(31)14-20/h5-15,18H,4,16-17H2,1-3H3,(H,32,35)(H,33,36)
PubChem CID	25060265
ChEMBL	CHEMBL3655518
IUPHAR	N/A
BindingDB	101182
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	346.0 nM	, None	BindingDB,ChEMBL

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