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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Sphingosine 1-phosphate receptor 4
Species	Homo sapiens (Human)
Gene	S1PR4
Synonym	S1P4 receptor S1P4 S1P receptor Edg-6 S1P receptor 4 endothelial differentiation, G protein-coupled receptor 6 Endothelial differentiation G-protein coupled receptor 6 edg6 Sphingosine 1-phosphate receptor Edg-6 [ Show all ]
Disease	N/A
Length	384
Amino acid sequence	MNATGTPVAPESCQQLAAGGHSRLIVLHYNHSGRLAGRGGPEDGGLGALRGLSVAASCLVVLENLLVLAAITSHMRSRRWVYYCLVNITLSDLLTGAAYLANVLLSGARTFRLAPAQWFLREGLLFTALAASTFSLLFTAGERFATMVRPVAESGATKTSRVYGFIGLCWLLAALLGMLPLLGWNCLCAFDRCSSLLPLYSKRYILFCLVIFAGVLATIMGLYGAIFRLVQASGQKAPRPAARRKARRLLKTVLMILLAFLVCWGPLFGLLLADVFGSNLWAQEYLRGMDWILALAVLNSAVNPIIYSFRSREVCRAVLSFLCCGCLRLGMRGPGDCLARAVEAHSGASTTDSSLRPRDSFRGSRSLSFRMREPLSSISSVRSI
UniProt	O95977
Protein Data Bank	N/A
GPCR-HGmod model	O95977
3D structure model	This predicted structure model is from GPCR-EXP O95977.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3230
IUPHAR	278
DrugBank	N/A

Ligand

Name	CHEMBL1779916
Molecular formula	C18H17NO2S
IUPAC name	N-(2,6-dimethylphenyl)-5-(3-methylthiophen-2-yl)furan-2-carboxamide
Molecular weight	311.399
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.6
Synonyms	BDBM50344811 N-(2,6-dimethylphenyl)-5-(3-methylthiophen-2-yl)furan-2-carboxamide
Inchi Key	CMGSSJWKGPOZDK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H17NO2S/c1-11-5-4-6-12(2)16(11)19-18(20)15-8-7-14(21-15)17-13(3)9-10-22-17/h4-10H,1-3H3,(H,19,20)
PubChem CID	54583567
ChEMBL	CHEMBL1779916
IUPHAR	N/A
BindingDB	50344811
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	93.0 nM	PMID21570287	BindingDB,ChEMBL

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