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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	SCHEMBL4886369
Molecular formula	C28H29F2N3O2
IUPAC name	N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-3-ylmethyl)indole-3-carboxamide
Molecular weight	477.556
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	5.4
Synonyms	US8524917, 95 CHEMBL3655476 BDBM101122
Inchi Key	AMPDFAFYHKZPQO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H29F2N3O2/c1-17(2)27-26(28(34)32-15-19-7-10-23(29)24(30)12-19)22-9-8-21(35-18(3)4)13-25(22)33(27)16-20-6-5-11-31-14-20/h5-14,17-18H,15-16H2,1-4H3,(H,32,34)
PubChem CID	59762277
ChEMBL	CHEMBL3655476
IUPHAR	N/A
BindingDB	101122
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	15.0 nM	, None	BindingDB,ChEMBL

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