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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	SCHEMBL805715
Molecular formula	C29H29F2N3O2
IUPAC name	1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-propan-2-ylindole-3-carboxamide
Molecular weight	489.567
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	6.0
Synonyms	CHEMBL3659680 BDBM101209 US8524917, 182
Inchi Key	AGCSCYUABDUONY-HNSNBQBZSA-N
Inchi ID	InChI=1S/C29H29F2N3O2/c1-18(2)28-27(29(35)32-16-21-10-13-24(30)25(31)14-21)23-12-11-22(19(3)33-36-4)15-26(23)34(28)17-20-8-6-5-7-9-20/h5-15,18H,16-17H2,1-4H3,(H,32,35)/b33-19+
PubChem CID	44233497
ChEMBL	CHEMBL3659680
IUPHAR	N/A
BindingDB	101209
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	147.0 nM	, None	BindingDB,ChEMBL

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